SCHEMBL9715764

SCHEMBL9715764

C=C(c1ccccc1)c1ccc(C(C)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.61
PTGS1 P23219 11/20 0.53
LMNA P02545 6/20 0.53
CXCR1 P25024 4/20 0.53
CXCR2 P25025 4/20 0.53
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 3/20 0.53
SLC22A6 Q4U2R8 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
PMP22 Q01453 2/20 0.53
CXCL8 P10145 2/20 0.53
HIF1A Q16665 2/20 0.53
RECQL P46063 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
THPO P40225 1/20 0.53
CYP2C9 P11712 5/20 0.51

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
SCHEMBL9715740 0.87 PTGS2 (0.50) PTGS2PTGS1LMNACXCR1CXCR2
SCHEMBL6343087 0.85 PTGS2 (0.66) PTGS2PTGS1LMNACXCR1CXCR2
SCHEMBL5313395 0.85 PTGS2 (0.71) PTGS2PTGS1LMNACXCR1CXCR2
SCHEMBL7704968 0.85 PTGS2 (0.71) PTGS2PTGS1LMNACXCR1CXCR2
SCHEMBL13974049 0.84 PTGS1 (0.71) PTGS2PTGS1LMNACXCR1CXCR2
SCHEMBL9632545 0.84 PTGS1 (0.71) PTGS2PTGS1LMNACXCR1CXCR2
SCHEMBL10415941 0.81 PTGS2 (0.55) PTGS2PTGS1LMNACXCR1CXCR2
SCHEMBL11730538 0.80 PTGS2 (0.48) PTGS2PTGS1LMNACXCR1CXCR2
SCHEMBL6547367 0.80 MEN1 (0.53) LMNAMAPTSMN1; SMN2ALDH1A1HIF1A
Ethylene SCHEMBL28098281 0.80 PTGS2 (0.69) PTGS2PTGS1LMNACXCR1CXCR2

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-0304495-B1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-05-27 EP disclosed
US-4908473-A Reacting a (1-arylethenyl)vinylbenzene with carbon monoxide and water or alcohol in the presence of carbonylation catalyst NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-03-13 US disclosed
EP-0304495-A1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-03-01 EP disclosed