SCHEMBL6942295

SCHEMBL6942295

CC(C)C[C@@H](C(=O)NN(c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O)[C@H](CC=Cc1ccccc1)C(=O)NO

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.66
MMP1 P03956 7/20 0.42
FCER2 P06734 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
MAPT P10636 1/20 0.38
MMP2 P08253 7/20 0.37
MMP3 P08254 6/20 0.37
MMP7 P09237 5/20 0.37
MMP8 P22894 3/20 0.37
MMP9 P14780 2/20 0.37
MMP13 P45452 2/20 0.37
MMP12 P39900 1/20 0.37
MMP14 P50281 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
SCHEMBL6940122 0.96 ADAM17 (0.63) ADAM17MMP1FCER2SMN1; SMN2GRIK1
SCHEMBL6940945 0.91 ADAM17 (0.75) ADAM17MMP1FCER2MMP2MMP3
SCHEMBL6945656 0.90 ADAM17 (0.71) ADAM17MMP1FCER2MMP2MMP3
SCHEMBL6942266 0.87 ADAM17 (0.70) ADAM17MMP1FCER2SMN1; SMN2MMP2
SCHEMBL6943011 0.83 ADAM17 (0.65) ADAM17MMP1MMP2MMP3MMP7
SCHEMBL6944738 0.83 ADAM17 (0.64) ADAM17MMP1SMN1; SMN2GRIK1GRIK2
SCHEMBL6944673 0.83 ADAM17 (0.46) ADAM17MMP1FCER2SMN1; SMN2GRIK1
SCHEMBL6940838 0.82 ADAM17 (0.63) ADAM17MMP1FCER2MMP2MMP3
SCHEMBL6940364 0.82 ADAM17 (0.70) ADAM17MMP1FCER2MMP2MMP3
SCHEMBL6940125 0.82 ADAM17 (0.67) ADAM17MMP1FCER2MMP2MMP3

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