SCHEMBL6940244

SCHEMBL6940244

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

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.65
MMP2 P08253 5/20 0.40
MMP9 P14780 3/20 0.40
MMP13 P45452 3/20 0.39
MMP1 P03956 1/20 0.39
MMP8 P22894 1/20 0.39
MMP3 P08254 1/20 0.37
FCER2 P06734 1/20 0.37

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 0.82 ADAM17 (0.71) ADAM17MMP2MMP9MMP13MMP1
SCHEMBL6942613 0.81 ADAM17 (0.68) ADAM17MMP2MMP9MMP13MMP1
SCHEMBL6945143 0.80 ADAM17 (0.44) ADAM17MMP2MMP13MMP3
SCHEMBL6941952 0.80 ADAM17 (0.65) ADAM17MMP2MMP9MMP13MMP1
SCHEMBL3500092 0.79 ADAM17 (1.00) ADAM17MMP2MMP9MMP13MMP1
SCHEMBL6813847 0.79 ADAM17 (1.00) ADAM17MMP2MMP9MMP13MMP1
SCHEMBL6813844 0.79 ADAM17 (1.00) ADAM17MMP2MMP9MMP13MMP1
SCHEMBL4481744 0.79 ADAM17 (1.00) ADAM17MMP2MMP9MMP13MMP1
SCHEMBL13274076 0.79 ADAM17 (1.00) ADAM17MMP2MMP9MMP13MMP1
SCHEMBL6937848 0.77 ADAM17 (0.64) ADAM17MMP2MMP9MMP13MMP1

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