SCHEMBL8750908

SCHEMBL8750908

O=C([O-])C=Cc1ccc(OCC(O)CO)cc1.[Na+]

nearest known ligand 0.50

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 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
APP P05067 5/20 0.42
GSK3B P49841 2/20 0.40
BACE1 P56817 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8750788 0.83 TDP1 (0.46) ARMAPTALDH1A1LMNAPOLB
SCHEMBL8750845 0.82 KDM4E (0.44) LMNAPOLBAPPNPC1KDM4E
SCHEMBL8750844 0.82 CA12 (0.53) ARMAPTALDH1A1LMNAPOLB
SCHEMBL8750907 0.80 CA12 (0.57) MAPTALDH1A1LMNATAS1R3TAS1R1
SCHEMBL8750902 0.80 MAPT (0.41) ARMAPTALDH1A1LMNAPOLB
SCHEMBL30372348 0.79 AR (0.64) ARMAPTALDH1A1LMNAPOLB
SCHEMBL30372421 0.79 AR (0.64) ARMAPTALDH1A1LMNAPOLB
SCHEMBL9136065 0.78 FDPS (0.53) MAPTALDH1A1LMNAAPPMAPK1
SCHEMBL9134291 0.78 NFE2L2 (0.51) MAPTALDH1A1LMNAAPPMAPK1
SCHEMBL25197350 0.78 MAOB (0.68) MAPTALDH1A1LMNANPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539601-B1 CINNAMIC ACID/GLYCEROL ADDUCT, ULTRAVIOLET ABSORBER, AND DERMATOLOGIC PREPARATION SHISEIDO CO LTD (JP) 1997-04-09 EP disclosed
US-5426210-A Water soluble sunscreen agents SHISEIDO CO., LTD. (JP) 1995-06-20 US disclosed
EP-0539601-A1 CINNAMIC ACID/GLYCEROL ADDUCT, ULTRAVIOLET ABSORBER, AND DERMATOLOGIC PREPARATION SHISEIDO COMPANY LIMITED (JP) 1993-05-05 EP disclosed