SCHEMBL8750900

SCHEMBL8750900

O=C([O-])C(=Cc1ccccc1)OCC(O)CO.[Na+]

nearest known ligand 0.39

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
PPARG known ✓ P37231 1/20 0.34
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 4/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
AGTR1 P30556 1/20 0.38
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.34
FBP1 P09467 1/20 0.34
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARA Q07869 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
AKR1C3 P42330 1/20 0.33

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
SCHEMBL9135507 0.85 MEN1 (0.44) MEN1KMT2ACYP1A2KDM4ELMNA
SCHEMBL8750902 0.85 MAPT (0.41) MEN1KMT2ACYP1A2LMNAALDH1A1
SCHEMBL9134495 0.82 MEN1 (0.44) MEN1KMT2ACYP1A2KDM4ELMNA
SCHEMBL4212354 0.79 MEN1 (0.44) MEN1KMT2ACYP1A2KDM4ELMNA
SCHEMBL9135121 0.78 LMNA (0.47) MEN1KMT2ACYP1A2KDM4ELMNA
SCHEMBL9138801 0.78 LMNA (0.47) MEN1KMT2ACYP1A2KDM4ELMNA
SCHEMBL5481257 0.74 CYP1A2 (0.40) MEN1KMT2ACYP1A2KDM4ELMNA
SCHEMBL4790312 0.72 LMNA (0.58) MEN1KMT2ACYP1A2LMNAALDH1A1
Glycerin SCHEMBL28334457 0.72 ABCG2 (0.45) MEN1KMT2ACYP1A2KDM4ELMNA
SCHEMBL4790316 0.72 LMNA (0.58) MEN1KMT2ACYP1A2LMNAALDH1A1

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