SCHEMBL7955113

SCHEMBL7955113

CC(C)C[C@@H](C(=O)NN1C(=O)CN(C)C1=O)C(C/C=C/c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.43
CTRB1 P17538 1/20 0.32
MMP2 P08253 4/20 0.32
MMP3 P08254 4/20 0.32
MMP7 P09237 3/20 0.32
MMP1 P03956 4/20 0.31
CASP1 P29466 1/20 0.31
CASP3 P42574 1/20 0.31
CASP7 P55210 1/20 0.31
CASP6 P55212 1/20 0.31
CASP8 Q14790 1/20 0.31
MMP8 P22894 2/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31
PLA2G10 O15496 1/20 0.31
PLA2G5 P39877 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL7955106 1.00 ADAM17 (0.43) ADAM17CTRB1MMP2MMP3MMP7
SCHEMBL7955110 1.00 ADAM17 (0.43) ADAM17CTRB1MMP2MMP3MMP7
SCHEMBL7955115 1.00 ADAM17 (0.43) ADAM17CTRB1MMP2MMP3MMP7
SCHEMBL7840713 0.89 ADAM17 (0.41) ADAM17CTRB1MMP2MMP3MMP7
SCHEMBL7840708 0.89 ADAM17 (0.41) ADAM17CTRB1MMP2MMP3MMP7
SCHEMBL7840710 0.89 ADAM17 (0.41) ADAM17CTRB1MMP2MMP3MMP7
SCHEMBL7957360 0.88 ADAM17 (0.54) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7957351 0.88 ADAM17 (0.54) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7957354 0.88 ADAM17 (0.54) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7957357 0.88 ADAM17 (0.54) ADAM17MMP2MMP3MMP7MMP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed