SCHEMBL6940822

SCHEMBL6940822

CC(C)C[C@@H](C(=O)NN(CC(C)C)S(C)(=O)=O)[C@H](Cc1ccccc1)C(=O)NOCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.56
ECE1 P42892 1/20 0.41
MMP2 P08253 2/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
FCER2 P06734 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ACE P12821 6/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
PSMB5 P28074 1/20 0.39
MMP1 P03956 2/20 0.38
CTSB P07858 2/20 0.38

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
SCHEMBL6942387 0.87 ADAM17 (0.71) ADAM17MMP2MMP13MMP14FCER2
SCHEMBL6942091 0.83 ADAM17 (0.46) ADAM17MMP2MMP13MMP9MMP8
SCHEMBL6945862 0.80 ADAM17 (0.53) ADAM17MMP2ADAMTS4MMP13MMP14
SCHEMBL6942498 0.77 CTSK (0.39) ADAM17ECE1FCER2PSMB5MMP1
SCHEMBL7100583 0.76 ADAM17 (0.60) ADAM17ECE1MMP2ADAMTS4MMP13
SCHEMBL7104743 0.74 ADAM17 (0.58) ADAM17ECE1MMP2ADAMTS4MMP13
SCHEMBL6937848 0.74 ADAM17 (0.64) ADAM17MMP2MMP13MMP14FCER2
SCHEMBL7101859 0.73 ADAM17 (0.57) ADAM17ECE1MMP2ADAMTS4MMP13
SCHEMBL6942613 0.73 ADAM17 (0.68) ADAM17MMP2MMP13MMP14FCER2
SCHEMBL6941952 0.73 ADAM17 (0.65) ADAM17MMP2ADAMTS4MMP13MMP14

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