SCHEMBL752771

SCHEMBL752771

COc1cc(-c2ccc(/N=N/c3cc(S(=O)(=O)[O-])c4ccccc4c3O)c(OC)c2)ccc1/N=N/c1cc(S(=O)[O-])c2ccccc2c1O.[Na+].[Na+]

nearest known ligand 0.57

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
THRB known ✓ P10828 4/20 0.57
PHLPP2 Q6ZVD8 3/20 0.54
CYP3A4 P08684 3/20 0.54
HPGD P15428 3/20 0.54
MAPK1 P28482 3/20 0.54
RECQL P46063 3/20 0.54
HSD17B10 Q99714 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
APEX1 P27695 2/20 0.54
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
CYP1A2 P05177 2/20 0.54
USP2 O75604 1/20 0.54
CYP2C9 P11712 1/20 0.54
MIF P14174 1/20 0.54
CYP2C19 P33261 1/20 0.54
HIF1A Q16665 1/20 0.54
HSPD1 P10809 2/20 0.50
HSPE1 P61604 2/20 0.50

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
SCHEMBL752770 0.91 THRB (0.69) THRBPHLPP2CYP3A4HPGDMAPK1
SCHEMBL29741563 0.91 THRB (0.69) THRBPHLPP2CYP3A4HPGDMAPK1
SCHEMBL1352715 0.85 THRB (0.66) THRBPHLPP2CYP3A4HPGDMAPK1
SCHEMBL23787721 0.83 PHLPP2 (0.72) THRBPHLPP2CYP3A4HPGDMAPK1
SCHEMBL29358163 0.82 THRB (0.68) THRBPHLPP2CYP3A4HPGDMAPK1
SCHEMBL1435814 0.82 THRB (0.68) THRBPHLPP2CYP3A4HPGDMAPK1
SCHEMBL1423907 0.78 PHLPP2 (0.70) THRBPHLPP2CYP3A4HPGDMAPK1
SCHEMBL1423903 0.78 PHLPP2 (0.70) THRBPHLPP2CYP3A4HPGDMAPK1
SCHEMBL29382082 0.78 THRB (0.74) THRBPHLPP2CYP3A4HPGDMAPK1
SCHEMBL29637813 0.77 PHLPP2 (0.82) THRBPHLPP2CYP3A4HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4025164-A Liquid crystal display device for colored display of information with a selective polarizer BBC BROWN BOVERI & COMPANY LIMITED (CH) 1977-05-24 US claimed
US-9353337-B2 Liquid cleaning composition THE PROCTER & GAMBLE COMPANY (US) 2016-05-31 US disclosed
EP-2431452-B1 Liquid cleaning composition PROCTER & GAMBLE (US) 2015-07-08 EP disclosed
WO-2012040143-A1 LIQUID CLEANING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2012-03-29 WO disclosed
US-20120071380-A1 LIQUID CLEANING COMPOSITION THE PROCTER & GAMBLE COMPANY 2012-03-22 US disclosed
EP-2431452-A1 Liquid cleaning composition The Procter & Gamble Company (US) 2012-03-21 EP disclosed