SCHEMBL7308337

SCHEMBL7308337

COc1ccc(SCC(Cc2ccccc2)C(=O)NO)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.55
MMP1 P03956 2/20 0.55
MMP13 P45452 1/20 0.55
ACE P12821 1/20 0.49
MMP2 P08253 3/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
MMP3 P08254 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
ADAM17 P78536 1/20 0.46
KMT2A Q03164 2/20 0.46
FCER2 P06734 1/20 0.46
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL7074193 0.87 PPARG (0.56) ACEPPARGPPARA
SCHEMBL7303001 0.87 MTNR1A (0.54) MMP9MMP1MMP13MMP2
SCHEMBL7310561 0.87 MMP2 (0.56) MMP9MMP1MMP2ADAM17FCER2
SCHEMBL7369170 0.82 EPHX2 (0.49) ACEPPARGPPARA
SCHEMBL7300411 0.77 MMP1 (0.67) MMP9MMP1MMP13MMP2MMP3
SCHEMBL6380461 0.76 MTNR1A (0.50) PPARGPPARAKMT2AKDM4E
SCHEMBL7302563 0.76 MMP2 (0.47) MMP9MMP1ACEMMP2PPARG
SCHEMBL7301766 0.76 MMP1 (0.56) MMP9MMP1MMP13ACEMMP2
SCHEMBL7078743 0.75 GRIK1 (0.48) MMP1MMP2PPARGPPARAMMP3
SCHEMBL13258984 0.74 NOS3 (0.48) MMP9MMP2PPARGPPARAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1177821-C Matrix metalloprotease inhibitors - 2004-12-01 CN disclosed
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
CN-1160045-A Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 1997-09-24 CN disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed