SCHEMBL7310693

SCHEMBL7310693

COc1ccc(C=Cc2ccccc2SC(CC(=O)NOC(C)(C)C)Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 7/20 0.48
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
MMP1 P03956 2/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7302511 0.89 SNCA (0.53) SNCAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7302520 0.89 SNCA (0.53) SNCAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7310697 0.89 SNCA (0.44) SNCAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7301817 0.86 SNCA (0.50) SNCAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7310687 0.84 CYP1A1 (0.44) SNCAKDM4EMAPTMEN1KMT2A
SCHEMBL7304806 0.82 PPARG (0.44) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL7311006 0.80 MMP1 (0.56) SNCAMMP1MMP2MMP3PDE4A
SCHEMBL7302523 0.77 MMP1 (0.54) SNCAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7311029 0.76 CTSS (0.39) MMP2ALDH1A1RECQLMEN1LMNA
SCHEMBL7310105 0.74 PPARG (0.42) MMP1MMP2MAPTRECQLPPARG

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