SCHEMBL6940096

SCHEMBL6940096

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

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.82
MMP3 P08254 15/20 0.45
MMP2 P08253 15/20 0.45
MMP7 P09237 12/20 0.45
MMP1 P03956 14/20 0.44
MMP8 P22894 4/20 0.44
MMP9 P14780 4/20 0.44
MMP13 P45452 2/20 0.44
MMP12 P39900 1/20 0.44
MMP14 P50281 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
FCER2 P06734 2/20 0.40

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
SCHEMBL6850303 1.00 ADAM17 (0.82) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL6943726 0.95 ADAM17 (0.78) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL6938063 0.93 ADAM17 (0.74) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL6945120 0.92 ADAM17 (0.73) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL6944425 0.91 ADAM17 (0.71) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL6941743 0.91 ADAM17 (0.74) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL6942649 0.90 ADAM17 (0.79) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL6940003 0.90 ADAM17 (0.70) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL6942266 0.90 ADAM17 (0.70) ADAM17MMP2MMP1MMP8MMP9
SCHEMBL4481744 0.90 ADAM17 (1.00) ADAM17MMP3MMP2MMP7MMP1

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