SCHEMBL170073

SCHEMBL170073

COc1ccc(C(=O)c2ccccc2)c(O)c1S(=O)(=O)[O-].[Na+]

nearest known ligand 0.65

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A known ✓ P27815 1/20 0.46
PDE4D known ✓ Q08499 1/20 0.46
MAPT P10636 11/20 0.65
KDM4E B2RXH2 4/20 0.65
HSD17B10 Q99714 3/20 0.65
MAPK1 P28482 3/20 0.65
ALOX15 P16050 2/20 0.65
LMNA P02545 7/20 0.53
HTT P42858 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HPGD P15428 5/20 0.50
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 2/20 0.50
RECQL P46063 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9363053 0.89 MAPT (0.46) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL717833 0.86 MAPT (0.68) MAPTKDM4EHSD17B10MAPK1ALOX15
Water SCHEMBL4668603 0.85 MAPT (0.67) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL871131 0.85 MAPT (0.67) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL93271 0.79 MAPT (1.00) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL1735933 0.78 LMNA (0.50) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL7129526 0.78 NPC1 (0.60) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL2060403 0.77 MAPT (0.77) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL2519521 0.77 MAPT (0.46) MAPTKDM4EHSD17B10MAPK1ALOX15
SCHEMBL6444260 0.77 MAPT (0.77) MAPTKDM4EHSD17B10MAPK1ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2889027-B1 Oral preparation, injection preparation, external skin preparation and cosmetic method for preventing or improving wrinkles SHISEIDO CO LTD (JP) 2020-06-17 EP disclosed
EP-2474295-B1 SUNSCREEN COSMETIC SHISEIDO CO LTD (JP) 2018-09-26 EP disclosed
EP-3067038-B1 SKIN WHITENING AGENT SHISEIDO CO LTD (JP) 2017-10-11 EP disclosed
EP-1918363-B1 STRAIN OF TURKEY TAIL MUSHROOM, EXTRACT FROM THE SAME, AND USE OF THE SAME NIKKEN SOHONSHA CORP (JP) 2016-09-28 EP disclosed
EP-3067038-A1 SKIN WHITENING AGENT SHISEIDO COMPANY, LTD. (JP) 2016-09-14 EP disclosed
EP-2250999-B1 SKIN WHITENING AGENT AND EXTERNAL PREPARATION FOR THE SKIN SHISEIDO CO LTD (JP) 2016-04-13 EP disclosed
EP-2251000-B1 SKIN WHITENING AGENT AND EXTERNAL PREPARATION FOR THE SKIN SHISEIDO CO LTD (JP) 2016-04-13 EP disclosed
EP-2250998-B1 SKIN WHITENING AGENT AND EXTERNAL PREPARATION FOR THE SKIN SHISEIDO CO LTD (JP) 2016-04-13 EP disclosed
EP-2987536-A1 ORAL PREPARATION, INJECTION PREPARATION, EXTERNAL SKIN PREPARATION AND COSMETIC METHOD FOR PREVENTING OR IMPROVING WRINKLES Shiseido Co., Ltd. (JP) 2016-02-24 EP disclosed
EP-2889027-A2 Oral preparation, injection preparation, external skin preparation and cosmetic method for preventing or improving wrinkles Shiseido Co., Ltd. (JP) 2015-07-01 EP disclosed
EP-0689831-B1 Liniment for melanin inhibtors SHISEIDO CO LTD (JP) 2003-01-22 EP disclosed
EP-1252881-A2 Liniment for melanin inhibitors SHISEIDO COMPANY, LTD. (JP) 2002-10-30 EP disclosed
US-20020131941-A1 Colorant-containing aqueous polymer dispersion BASF AKTIENGESELLSCHAFT (DE) 2002-09-19 US disclosed
EP-0923938-A1 IMMUNOPOTENTIATORS SHISEIDO COMPANY LIMITED (JP) 1999-06-23 EP disclosed
EP-0919223-A1 ANTIAGING AGENT SHISEIDO COMPANY, LTD. (JP) 1999-06-02 EP disclosed
EP-0919218-A1 DERMATOLOGIC PREPARATIONS FOR BEAUTIFYING SHISEIDO COMPANY LIMITED (JP) 1999-06-02 EP disclosed
EP-0570230-B1 External preparation for skin SHISEIDO CO LTD (JP) 1998-09-30 EP disclosed
EP-0815838-A2 External skin treatment composition SHISEIDO COMPANY, LTD. (JP) 1998-01-07 EP disclosed
EP-0689831-A2 Liniment for melanin inhibtors SHISEIDO COMPANY LIMITED (JP) 1996-01-03 EP disclosed
EP-0570230-A1 External preparation for skin SHISEIDO COMPANY LIMITED (JP) 1993-11-18 EP disclosed