SCHEMBL7364525

SCHEMBL7364525

C/C=C/c1cc(-c2ccc(CC(=O)O)c(=O)[nH]2)ccc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
ALOX5 P09917 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
POLB P06746 1/20 0.39
AMY1A P0DUB6 1/20 0.38
GAA P10253 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
BACE1 P56817 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.35
TNFRSF1A P19438 2/20 0.35
STING1 Q86WV6 1/20 0.35
ADORA2B P29275 1/20 0.35
HMGCR P04035 1/20 0.35
CYP3A4 P08684 1/20 0.35
JUN P05412 1/20 0.34

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
SCHEMBL7364529 1.00 HSD17B10 (0.40) HSD17B10ALOX5GABRA1GABRB2POLB
SCHEMBL7362445 0.81 KDM4E (0.45) ALOX5GABRA1GABRB2POLBGAA
SCHEMBL7362442 0.81 KDM4E (0.45) ALOX5GABRA1GABRB2POLBGAA
SCHEMBL7371748 0.77 KDM4E (0.57) ALOX5GABRA1GABRB2POLBGAA
SCHEMBL7371751 0.77 KDM4E (0.57) ALOX5GABRA1GABRB2POLBGAA
SCHEMBL9526087 0.71 ALOX5 (0.36) ALOX5GABRA1GABRB2POLBGAA
SCHEMBL9526095 0.71 ALOX5 (0.36) ALOX5GABRA1GABRB2POLBGAA
SCHEMBL7363438 0.68 RXRA (0.43) HSD17B10GAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL16495851 0.68 KDM4E (0.39) HSD17B10GAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL292026 0.68 POLB (0.63) HSD17B10ALOX5POLBGAAKDM4E

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
WO-1993010093-A1 2-PYRIDINOL DERIVATIVES AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1993-05-27 WO claimed
EP-0613467-A1 2-PYRIDINOL DERIVATIVES AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1994-09-07 EP disclosed
WO-1993010093-A1 2-PYRIDINOL DERIVATIVES AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1993-05-27 WO disclosed