SCHEMBL11396522

SCHEMBL11396522

COc1ccc(CC(=O)O)c(Sc2ccc(C(C)C#N)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 4/20 0.52
▸ MMP9 P14780 4/20 0.52
▸ MMP12 P39900 4/20 0.52
▸ AGBL2 Q5U5Z8 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.43
▸ MMP14 P50281 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ AKR1C3 P42330 4/20 0.38
▸ AKR1C2 P52895 4/20 0.38
▸ PTGS1 P23219 3/20 0.38
▸ LCK P06239 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PTGS2 P35354 3/20 0.37
▸ CDC42 P60953 1/20 0.37
▸ RAC1 P63000 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL11403527 0.91 AGBL2 (0.54) MMP2MMP9MMP12AGBL2HSD17B10
SCHEMBL11453265 0.84 AGBL2 (0.50) MMP2MMP9MMP12AGBL2CYP2C9
SCHEMBL11407313 0.84 AGBL2 (0.62) MMP2MMP9MMP12AGBL2KDM4E
SCHEMBL11478885 0.81 CYP2C9 (0.59) MMP2MMP9MMP12AGBL2MMP14
SCHEMBL11754252 0.81 MMP2 (0.61) MMP2MMP9MMP12AGBL2HSD17B10
SCHEMBL11394789 0.81 AGBL2 (0.52) MMP2MMP9MMP12AGBL2HSD17B10
SCHEMBL11758032 0.80 MMP2 (0.60) MMP2MMP9MMP12AGBL2HSD17B10
SCHEMBL11761893 0.80 MMP2 (0.60) MMP2MMP9MMP12AGBL2HSD17B10
SCHEMBL11394902 0.78 MMP2 (0.44) MMP2MMP9MMP12AGBL2HSD17B10
SCHEMBL11398613 0.78 MMP2 (0.44) MMP2MMP9MMP12AGBL2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4282245-A ANTIINFLAMMATORY NIPPON CHEMIPHAR CO., LTD. (JP) 1981-08-04 — — US disclosed
Send feedback