SCHEMBL7309215

SCHEMBL7309215

O=C(N[C@@H](CSc1ccc(Oc2ccccc2)cc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.55
PPARG P37231 1/20 0.55
MMP13 P45452 3/20 0.54
CASP1 P29466 2/20 0.53
CTSK P43235 2/20 0.51
CTSS P25774 1/20 0.51
CA2 P00918 1/20 0.51
ITGB3 P05106 6/20 0.49
ITGA2B P08514 6/20 0.49
EGLN2 Q96KS0 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
ATM Q13315 1/20 0.46
TACR1 P25103 1/20 0.46

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
SCHEMBL7309224 1.00 PPARA (0.55) PPARAPPARGMMP13CASP1CTSK
SCHEMBL1541597 0.90 CASP1 (0.62) PPARAPPARGMMP13CASP1CTSK
SCHEMBL4973400 0.90 CASP1 (0.62) PPARAPPARGMMP13CASP1CTSK
SCHEMBL6487973 0.90 CASP1 (0.62) PPARAPPARGMMP13CASP1CTSK
SCHEMBL7810073 0.89 CASP1 (0.61) PPARAPPARGMMP13CASP1CTSK
SCHEMBL7810068 0.89 CASP1 (0.61) PPARAPPARGMMP13CASP1CTSK
SCHEMBL5226937 0.86 PPARA (0.55) PPARAPPARGMMP13CASP1CTSK
SCHEMBL7302654 0.85 CA2 (0.52) PPARAPPARGMMP13CASP1CTSK
SCHEMBL7302646 0.85 CA2 (0.52) PPARAPPARGMMP13CASP1CTSK
SCHEMBL23927277 0.81 PPARA (0.73) PPARAPPARGCASP1CTSKCTSS

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-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed