SCHEMBL6940787

SCHEMBL6940787

CC(C)C[C@@H](C(=O)NN1CCOC1=O)C(C/C=C/c1ccccc1)C(=O)NO

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.54
MMP3 P08254 12/20 0.44
MMP1 P03956 10/20 0.44
MMP9 P14780 3/20 0.44
MMP14 P50281 3/20 0.44
MMP2 P08253 11/20 0.41
MMP8 P22894 3/20 0.41
MMP13 P45452 2/20 0.41
MMP7 P09237 8/20 0.41
MMP12 P39900 1/20 0.40
APP P05067 1/20 0.39
LTA4H P09960 1/20 0.37
ANPEP P15144 1/20 0.37
FCER2 P06734 1/20 0.36
GAA P10253 1/20 0.36
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36

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
SCHEMBL6940783 1.00 ADAM17 (0.54) ADAM17MMP3MMP1MMP9MMP14
SCHEMBL6940789 1.00 ADAM17 (0.54) ADAM17MMP3MMP1MMP9MMP14
SCHEMBL6940779 1.00 ADAM17 (0.54) ADAM17MMP3MMP1MMP9MMP14
SCHEMBL7836616 0.83 ADAM17 (0.53) ADAM17MMP3MMP1MMP9MMP14
SCHEMBL7955133 0.83 ADAM17 (0.55) ADAM17MMP3MMP1MMP9MMP14
SCHEMBL1844385 0.83 ADAM17 (0.55) ADAM17MMP3MMP1MMP9MMP14
SCHEMBL1844380 0.83 ADAM17 (0.55) ADAM17MMP3MMP1MMP9MMP14
SCHEMBL13274078 0.83 ADAM17 (0.55) ADAM17MMP3MMP1MMP9MMP14
SCHEMBL7955135 0.83 ADAM17 (0.55) ADAM17MMP3MMP1MMP9MMP14
SCHEMBL7940327 0.79 ADAM17 (0.56) ADAM17MMP3MMP1MMP9MMP14

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