SCHEMBL6942387

SCHEMBL6942387

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

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.71
FCER2 P06734 7/20 0.49
MMP1 P03956 11/20 0.48
MMP2 P08253 10/20 0.47
MMP9 P14780 3/20 0.47
MMP3 P08254 8/20 0.47
MMP7 P09237 5/20 0.47
MMP8 P22894 3/20 0.46
MMP13 P45452 2/20 0.46
MMP12 P39900 1/20 0.46
MMP14 P50281 1/20 0.46

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
SCHEMBL6940822 0.87 ADAM17 (0.56) ADAM17FCER2MMP1MMP2MMP9
SCHEMBL6942613 0.85 ADAM17 (0.68) ADAM17FCER2MMP1MMP2MMP9
SCHEMBL4481744 0.83 ADAM17 (1.00) ADAM17FCER2MMP1MMP2MMP9
SCHEMBL6813844 0.83 ADAM17 (1.00) ADAM17FCER2MMP1MMP2MMP9
SCHEMBL13274076 0.83 ADAM17 (1.00) ADAM17FCER2MMP1MMP2MMP9
SCHEMBL6813847 0.83 ADAM17 (1.00) ADAM17FCER2MMP1MMP2MMP9
SCHEMBL3500092 0.83 ADAM17 (1.00) ADAM17FCER2MMP1MMP2MMP9
SCHEMBL6940244 0.82 ADAM17 (0.65) ADAM17FCER2MMP1MMP2MMP9
SCHEMBL6941952 0.82 ADAM17 (0.65) ADAM17MMP1MMP2MMP9MMP3
SCHEMBL6937848 0.81 ADAM17 (0.64) ADAM17FCER2MMP1MMP2MMP9

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