SCHEMBL11398613

SCHEMBL11398613

COc1cccc(Sc2ccc(C(C)C#N)cc2)c1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 3/20 0.44
▸ MMP9 P14780 3/20 0.44
▸ MMP12 P39900 3/20 0.44
▸ AGBL2 Q5U5Z8 1/20 0.43
▸ HPGD P15428 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SLC6A9 P48067 7/20 0.37
▸ AR P10275 2/20 0.37
▸ MMP14 P50281 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL11400370 0.84 AKR1B1 (0.46) MMP2MMP9MMP12AGBL2HPGD
SCHEMBL11394902 0.82 MMP2 (0.44) MMP2MMP9MMP12AGBL2HPGD
SCHEMBL11478885 0.81 CYP2C9 (0.59) MMP2MMP9MMP12AGBL2HPGD
SCHEMBL11396522 0.78 MMP2 (0.52) MMP2MMP9MMP12AGBL2HPGD
SCHEMBL11403527 0.76 AGBL2 (0.54) MMP2MMP9MMP12AGBL2HPGD
SCHEMBL11407313 0.75 AGBL2 (0.62) MMP2MMP9MMP12AGBL2HPGD
SCHEMBL11402193 0.75 AGBL2 (0.76) MMP2MMP9MMP12AGBL2HPGD
SCHEMBL11453265 0.73 AGBL2 (0.50) MMP2MMP9MMP12AGBL2HPGD
SCHEMBL11400372 0.71 MMP2 (0.38) MMP2MMP9MMP12AGBL2HPGD
SCHEMBL8163677 0.71 AGBL2 (0.56) MMP2MMP9MMP12AGBL2HPGD

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
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