SCHEMBL11394902

SCHEMBL11394902

COc1cccc(CC(=O)O)c1Sc1ccc(C(C)C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.44
▸ MMP9 P14780 2/20 0.44
▸ MMP12 P39900 2/20 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
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CFD P00746 1/20 0.34
▸ F11 P03951 1/20 0.34
▸ TPSB2 P20231 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ AR P10275 1/20 0.34
▸ TOP2A P11388 1/20 0.34
▸ TOP2B Q02880 1/20 0.34
▸ KDM4E B2RXH2 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
SCHEMBL11398613 0.82 MMP2 (0.44) MMP2MMP9MMP12AGBL2HPGD
SCHEMBL10701583 0.82 MMP2 (0.54) MMP2MMP9MMP12HPGDCYP2C9
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
SCHEMBL11475773 0.75 SMN1; SMN2 (0.45) MMP2MMP9MMP12AGBL2HPGD
SCHEMBL11476701 0.74 CXCL8 (0.48) MMP2MMP9MMP12CFDF11
SCHEMBL11453265 0.73 AGBL2 (0.50) 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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