SCHEMBL1504777

SCHEMBL1504777

CC#CCOc1ccc(C(=O)NC(C)C(C(=O)O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 16/20 0.65
ADAM10 O14672 1/20 0.49
MMP3 P08254 1/20 0.49
ADAM9 Q13443 1/20 0.49
KDM4E B2RXH2 1/20 0.46
MMP13 P45452 6/20 0.45
MMP1 P03956 3/20 0.45
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MMP14 P50281 1/20 0.45
MMP8 P22894 2/20 0.45

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
SCHEMBL1504528 0.88 ADAM17 (0.62) ADAM17ADAM10MMP3ADAM9MMP13
SCHEMBL10276225 0.84 ADAM17 (0.84) ADAM17ADAM10MMP3ADAM9MMP13
SCHEMBL1504633 0.84 ADAM17 (0.84) ADAM17ADAM10MMP3ADAM9MMP13
SCHEMBL1503648 0.83 ADAM17 (0.59) ADAM17ADAM10MMP3ADAM9KDM4E
SCHEMBL10275838 0.79 ADAM17 (1.00) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL1504760 0.79 ADAM17 (1.00) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL1504776 0.72 ADAM17 (0.63) ADAM17ADAM10MMP3MMP1
SCHEMBL1504674 0.72 ADAM17 (0.61) ADAM17ADAM10MMP3ADAM9
SCHEMBL21067889 0.70 ADAM17 (0.73) ADAM17KDM4EMMP13MMP2MMP8
SCHEMBL10275858 0.70 ADAM17 (0.83) ADAM17ADAM10MMP3ADAM9MMP1

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
WO-2011033009-A1 N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL] BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-03-24 WO disclosed