SCHEMBL7302641

SCHEMBL7302641

O=C(O)CC(Cc1ccccc1)Sc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.51
PPARA Q07869 6/20 0.51
FFAR1 O14842 2/20 0.49
CPA1 P15085 2/20 0.47
CPB1 P15086 1/20 0.47
CPA3 P15088 1/20 0.47
CPB2 Q96IY4 1/20 0.47
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
ALDH1A1 P00352 1/20 0.44
SRD5A2 P31213 2/20 0.43
NPY5R Q15761 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43

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
SCHEMBL6823946 0.87 PPARG (0.52) PPARGPPARACPA1CPB1CPA3
SCHEMBL7299278 0.87 PPARG (0.47) PPARGPPARAMMP12MMP13NPY5R
SCHEMBL7308314 0.86 CPA1 (0.58) FFAR1CPA1CPB1CPA3CPB2
SCHEMBL7297423 0.84 CPA1 (0.51) PPARGPPARAFFAR1CPA1CPB1
SCHEMBL7302912 0.84 CPA1 (0.51) CPA1CPB1CPA3CPB2ALDH1A1
SCHEMBL7301712 0.82 CPA1 (0.50) CPA1CPB1CPA3CPB2MMP13
SCHEMBL7310105 0.81 PPARG (0.42) PPARGPPARAFFAR1MMP13NPY5R
SCHEMBL7310081 0.81 CPA1 (0.49) PPARGPPARACPA1CPB1CPA3
SCHEMBL7301821 0.81 ALDH1A1 (0.48) PPARGPPARAALDH1A1
SCHEMBL6823578 0.80 MMP12 (0.48) PPARGPPARAFFAR1MMP12

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