SCHEMBL6939409

SCHEMBL6939409

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 10/20 0.46
LTA4H P09960 1/20 0.38
ANPEP P15144 1/20 0.38
MMP1 P03956 7/20 0.37
MMP2 P08253 7/20 0.37
MMP3 P08254 7/20 0.37
MMP9 P14780 2/20 0.37
MMP14 P50281 2/20 0.37
CYP2C19 P33261 1/20 0.36
MMP7 P09237 5/20 0.35
FCER2 P06734 1/20 0.35
MMP8 P22894 2/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL6945777 0.88 ADAM17 (0.47) ADAM17LTA4HANPEPMMP1MMP2
SCHEMBL6941579 0.85 ADAM17 (0.46) ADAM17LTA4HANPEPMMP1MMP2
SCHEMBL6941767 0.84 ADAM17 (0.46) ADAM17LTA4HANPEPMMP1MMP2
SCHEMBL4481740 0.84 ADAM17 (0.46) ADAM17LTA4HANPEPMMP1MMP2
SCHEMBL6942610 0.84 ADAM17 (0.46) ADAM17LTA4HANPEPMMP1MMP2
SCHEMBL6937784 0.83 ADAM17 (0.33) ADAM17LTA4HANPEPMMP2MMP9
SCHEMBL6942446 0.82 ADAM17 (0.46) ADAM17LTA4HANPEPMMP1MMP2
SCHEMBL8097996 0.82 ADAM17 (0.46) ADAM17LTA4HANPEPMMP1MMP2
SCHEMBL6940092 0.82 ADAM17 (0.44) ADAM17ANPEPMMP1MMP2MMP3
SCHEMBL6942998 0.82 ADAM17 (0.44) ADAM17LTA4HANPEPMMP1MMP2

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