SCHEMBL6942998

SCHEMBL6942998

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 7/20 0.44
CYP2C19 P33261 1/20 0.34
LTA4H P09960 1/20 0.34
ANPEP P15144 1/20 0.34
MMP2 P08253 8/20 0.34
MMP3 P08254 8/20 0.34
MMP7 P09237 5/20 0.34
MMP1 P03956 8/20 0.34
MMP8 P22894 3/20 0.34
MMP9 P14780 2/20 0.34
MMP14 P50281 2/20 0.34
FCER2 P06734 1/20 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
SCHEMBL6947624 0.94 ADAM17 (0.43) ADAM17CYP2C19LTA4HANPEPMMP2
SCHEMBL6947093 0.92 ADAM17 (0.46) ADAM17CYP2C19LTA4HANPEPMMP2
SCHEMBL8097996 0.92 ADAM17 (0.46) ADAM17CYP2C19LTA4HANPEPMMP2
SCHEMBL6946883 0.91 ADAM17 (0.43) ADAM17CYP2C19LTA4HANPEPMMP2
SCHEMBL6942610 0.90 ADAM17 (0.46) ADAM17CYP2C19LTA4HANPEPMMP2
SCHEMBL4481740 0.90 ADAM17 (0.46) ADAM17CYP2C19LTA4HANPEPMMP2
SCHEMBL6941767 0.90 ADAM17 (0.46) ADAM17CYP2C19LTA4HANPEPMMP2
SCHEMBL6947369 0.90 ADAM17 (0.42) ADAM17CYP2C19LTA4HANPEPMMP2
SCHEMBL6945409 0.89 ADAM17 (0.43) ADAM17CYP2C19LTA4HANPEPMMP2
SCHEMBL6945999 0.89 ADAM17 (0.43) ADAM17CYP2C19LTA4HANPEPMMP2

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