SCHEMBL6945116

SCHEMBL6945116

COc1ccc(CC(/C=C/c2ccccc2)([C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)NN)S(C)(=O)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.40
MMP1 P03956 14/20 0.39
MMP13 P45452 6/20 0.39
MMP9 P14780 8/20 0.39
MMP3 P08254 5/20 0.39
ANPEP P15144 2/20 0.38
MMP2 P08253 4/20 0.37
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36

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
SCHEMBL6940092 0.92 ADAM17 (0.44) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL6943723 0.91 ADAM17 (0.44) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL6947183 0.85 ALDH1A1 (0.32) MMP1MMP13MMP9MMP3MMP2
SCHEMBL6938061 0.85 ADAM17 (0.40) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL6942610 0.85 ADAM17 (0.46) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL6941767 0.85 ADAM17 (0.46) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL4481740 0.85 ADAM17 (0.46) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL8107345 0.84 ADAM17 (0.41) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL6947369 0.84 ADAM17 (0.42) ADAM17MMP1MMP13MMP9MMP3
SCHEMBL6944422 0.84 ADAM17 (0.44) ADAM17MMP1MMP13MMP9MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed