SCHEMBL1504638

SCHEMBL1504638

CC#CCOc1ccc(C(=O)N(C)C[C@@H](C(=O)OC)C2CCN(S(C)(=O)=O)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 18/20 0.65
ADAM10 O14672 1/20 0.49
MMP3 P08254 1/20 0.49
ADAM9 Q13443 1/20 0.49
ALDH1A1 P00352 1/20 0.45
MMP2 P08253 2/20 0.45
MMP14 P50281 1/20 0.45
MMP13 P45452 4/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.43

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
SCHEMBL10276258 0.91 ADAM17 (0.64) ADAM17ADAM10MMP3ADAM9ALDH1A1
SCHEMBL1504787 0.79 ADAM17 (0.82) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL1504545 0.79 ADAM17 (1.00) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL15327602 0.79 ADAM17 (1.00) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL10276256 0.77 ADAM17 (0.51) ADAM17ADAM10MMP3ADAM9ALDH1A1
SCHEMBL10276261 0.77 ADAM17 (0.51) ADAM17ADAM10MMP3ADAM9ALDH1A1
SCHEMBL1504527 0.72 ADAM17 (0.81) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL1504780 0.72 ADAM17 (0.81) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL1503701 0.69 ADAM17 (0.56) ADAM17ADAM10MMP3ADAM9ALDH1A1
SCHEMBL1503703 0.69 ADAM17 (0.56) ADAM17ADAM10MMP3ADAM9ALDH1A1

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