SCHEMBL8750845

SCHEMBL8750845

O=C([O-])C=Cc1ccc(OCC(O)CO)c(OCC(O)CO)c1.[Na+]

nearest known ligand 0.44

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 14)

geneUniProtsupporting neighboursconfidence
FDPS known ✓ P14324 3/20 0.42
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
TOP2A P11388 3/20 0.43
LMNA P02545 2/20 0.43
AGTR1 P30556 1/20 0.41
CYP1A2 P05177 1/20 0.41
AKR1C3 P42330 2/20 0.40
POLB P06746 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
APP P05067 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
SCHEMBL9136065 0.93 FDPS (0.53) KDM4EKMT2ATOP2ALMNAFDPS
SCHEMBL9134291 0.93 NFE2L2 (0.51) KDM4EKMT2ATOP2ALMNAFDPS
SCHEMBL8750912 0.84 FDPS (0.50) KDM4EKMT2AGAALMNAFDPS
SCHEMBL8750883 0.83 FDPS (0.62) KDM4EKMT2AGAATOP2ALMNA
SCHEMBL8750908 0.82 AR (0.45) KDM4EKMT2ALMNAPOLBNPC1
SCHEMBL8750874 0.81 FDPS (0.62) KDM4EKMT2AGAATOP2ALMNA
SCHEMBL9136455 0.79 FDPS (0.63) KDM4EKMT2AGAATOP2ALMNA
SCHEMBL9135929 0.79 FDPS (0.70) KDM4EKMT2AGAATOP2ALMNA
SCHEMBL9135717 0.78 FDPS (0.55) KDM4EKMT2AGAALMNAFDPS
SCHEMBL9133548 0.78 FDPS (0.61) KDM4EGAALMNAFDPSAGTR1

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