SCHEMBL1504780

SCHEMBL1504780

CC#CCOc1ccc(C(=O)NC[C@H](C(=O)OC)N2CCN(S(C)(=O)=O)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.81
ADAM10 O14672 2/20 0.81
MMP3 P08254 2/20 0.81
ADAM9 Q13443 1/20 0.81
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.47
MMP14 P50281 1/20 0.47

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
SCHEMBL1504527 1.00 ADAM17 (0.81) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL1504584 0.91 ADAM17 (0.83) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL10275858 0.91 ADAM17 (0.83) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL10276287 0.91 ADAM17 (0.83) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL1504826 0.90 ADAM17 (1.00) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL1504804 0.90 ADAM17 (1.00) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL1504678 0.90 ADAM17 (1.00) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL1504688 0.87 ADAM17 (0.81) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL1504686 0.84 ADAM17 (0.62) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL1504911 0.84 ADAM17 (0.81) 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