SCHEMBL6945653

SCHEMBL6945653

CC(C)C[C@@H](C(=O)NN)[C@@H](C(=O)NO)C(/C=C/c1ccccc1)(c1ccc(Br)cc1)S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 9/20 0.45
LTA4H P09960 1/20 0.35
ANPEP P15144 1/20 0.35
MMP2 P08253 9/20 0.35
MMP3 P08254 9/20 0.35
MMP7 P09237 6/20 0.35
MMP1 P03956 8/20 0.35
MMP8 P22894 2/20 0.35
MMP9 P14780 2/20 0.35
MMP14 P50281 2/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
FCER2 P06734 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8107345 0.90 ADAM17 (0.41) ADAM17ANPEPMMP2MMP3MMP1
SCHEMBL6945957 0.85 ADAM17 (0.34) ADAM17LTA4HANPEPMMP2MMP9
SCHEMBL6943723 0.84 ADAM17 (0.44) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6945777 0.82 ADAM17 (0.47) ADAM17LTA4HANPEPMMP2MMP3
SCHEMBL6941579 0.82 ADAM17 (0.46) ADAM17LTA4HANPEPMMP2MMP3
SCHEMBL6947691 0.81 ADAM17 (0.40) ADAM17LTA4HANPEPMMP2MMP3
SCHEMBL6939409 0.81 ADAM17 (0.46) ADAM17LTA4HANPEPMMP2MMP3
SCHEMBL4481740 0.81 ADAM17 (0.46) ADAM17LTA4HANPEPMMP2MMP3
SCHEMBL6942610 0.81 ADAM17 (0.46) ADAM17LTA4HANPEPMMP2MMP3
SCHEMBL6941767 0.81 ADAM17 (0.46) ADAM17LTA4HANPEPMMP2MMP3

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