SCHEMBL6943849

SCHEMBL6943849

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)NO)C(/C=C/c1ccccc1)(CC(C)C)C(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 6/20 0.39
LTA4H P09960 1/20 0.35
ANPEP P15144 1/20 0.35
MMP3 P08254 10/20 0.35
MMP2 P08253 8/20 0.35
MMP7 P09237 5/20 0.35
MMP1 P03956 10/20 0.34
MMP9 P14780 2/20 0.34
MMP14 P50281 2/20 0.34
FCER2 P06734 2/20 0.34
MMP8 P22894 2/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL6982662 0.93 ADAM17 (0.34) ADAM17LTA4HANPEPMMP3MMP2
SCHEMBL6945158 0.89 ADAM17 (0.41) ADAM17LTA4HANPEPMMP3MMP2
SCHEMBL6943938 0.88 ADAM17 (0.40) ADAM17LTA4HANPEPMMP3MMP2
SCHEMBL6986272 0.88 MAPT (0.34) ADAM17
SCHEMBL6986412 0.87 ADAM17 (0.39) ADAM17LTA4HANPEPMMP3MMP2
SCHEMBL6937767 0.87 ADAM17 (0.39) ADAM17LTA4HANPEPMMP3MMP2
SCHEMBL6981660 0.87 ADAM17 (0.39) ADAM17LTA4HANPEPMMP3MMP2
SCHEMBL6983453 0.87 ADAM17 (0.39) ADAM17LTA4HANPEPMMP3MMP2
SCHEMBL6944459 0.87 ADAM17 (0.39) ADAM17LTA4HANPEPMMP3MMP2
SCHEMBL6981614 0.87 ADAM17 (0.39) ADAM17LTA4HANPEPMMP3MMP2

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