SCHEMBL6940240

SCHEMBL6940240

CC(C)C[C@@H](C(=O)NN)[C@@H](C(=O)NO)C(C#Cc1ccccc1)(CC(C)C)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 5/20 0.37
LTA4H P09960 1/20 0.35
ANPEP P15144 1/20 0.35
MMP1 P03956 2/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP14 P50281 1/20 0.34
FCER2 P06734 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
SCHEMBL6945140 0.82
SCHEMBL6942381 0.79 ADAM17 (0.40) ADAM17LTA4HANPEPMMP1MMP2
SCHEMBL6941949 0.77 ADAM17 (0.37) ADAM17LTA4HANPEPMMP1MMP2
SCHEMBL6942609 0.76 ADAM17 (0.42) ADAM17LTA4HANPEPMMP1MMP2
SCHEMBL6942610 0.75 ADAM17 (0.46) ADAM17LTA4HANPEPMMP1MMP2
SCHEMBL4481740 0.75 ADAM17 (0.46) ADAM17LTA4HANPEPMMP1MMP2
SCHEMBL6945575 0.74 MMP2 (0.39) ADAM17MMP1MMP2MMP3MMP9
SCHEMBL6945777 0.73 ADAM17 (0.47) ADAM17LTA4HANPEPMMP1MMP2
SCHEMBL6941579 0.72 ADAM17 (0.46) ADAM17LTA4HANPEPMMP1MMP2
SCHEMBL6939409 0.71 ADAM17 (0.46) 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