SCHEMBL6940034

SCHEMBL6940034

CC(C)C[C@@H](C(=O)NN(CC(C)C)S(C)(=O)=O)[C@H](CCC1CCCCC1)C(=O)NO

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.52
MMP1 P03956 18/20 0.43
MMP3 P08254 16/20 0.43
MMP2 P08253 14/20 0.43
MMP8 P22894 14/20 0.43
MMP13 P45452 11/20 0.43
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36

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
SCHEMBL6942694 0.94 ADAM17 (0.51) ADAM17MMP1MMP3MMP2MMP8
SCHEMBL6942207 0.90 ADAM17 (0.51) ADAM17MMP1MMP3MMP2MMP8
SCHEMBL6942476 0.84 ADAM17 (0.45) ADAM17MMP1MMP3MMP2MMP8
SCHEMBL6945579 0.84 ADAM17 (0.62) ADAM17MMP1MMP3MMP2MMP8
SCHEMBL6945603 0.83 ADAM17 (0.38) ADAM17MMP1MMP3MMP2MMP8
SCHEMBL6939562 0.80 ADAM17 (0.40) ADAM17MMP1MMP3MMP2MMP8
SCHEMBL6947013 0.80 MMP1 (0.52) ADAM17MMP1MMP3MMP2MMP8
SCHEMBL6946922 0.78 ADAM17 (0.37) ADAM17MMP1MMP3MMP2MMP8
SCHEMBL6940361 0.78 ADAM17 (0.37) ADAM17MMP1MMP3MMP2MMP8
SCHEMBL6943815 0.76 ADAM17 (0.62) ADAM17MMP1MMP3MMP2MMP8

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 2 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