SCHEMBL7302523

SCHEMBL7302523

COc1ccc(C=Cc2ccc(SC(CC(=O)NO)Cc3ccccc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.54
MMP2 P08253 7/20 0.54
MMP3 P08254 7/20 0.54
PDE4A P27815 6/20 0.54
PDE4B Q07343 6/20 0.54
PDE4C Q08493 6/20 0.54
PDE4D Q08499 6/20 0.54
SNCA P37840 2/20 0.48
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
MMP9 P14780 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.45
RECQL P46063 1/20 0.45
MMP13 P45452 1/20 0.45

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
SCHEMBL6823210 0.94 MMP1 (0.59) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL7301821 0.90 ALDH1A1 (0.48) SNCAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7310697 0.89 SNCA (0.44) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL6823237 0.88 PDE4A (0.53) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL6819843 0.88 PDE4A (0.53) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL7309376 0.87 CYP1A1 (0.49) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL7302511 0.87 SNCA (0.53) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL7302520 0.87 SNCA (0.53) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL7362100 0.87 PDE4A (0.57) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL7299278 0.83 PPARG (0.47) MMP1MMP2MMP3PDE4APDE4B

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