SCHEMBL1504822

SCHEMBL1504822

COCCOCOc1ccc(C(=O)NC[C@@H](C(=O)OC)N2CCN(S(=O)(=O)C(C)C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 17/20 0.51
ADAM10 O14672 2/20 0.48
MMP3 P08254 2/20 0.48
ADAM9 Q13443 1/20 0.48
MMP1 P03956 1/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL10275951 0.93 ADAM17 (0.55) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL10275940 0.93 ADAM17 (0.55) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL1504782 0.91 ADAM17 (0.62) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL1504686 0.91 ADAM17 (0.62) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL1503675 0.85 ADAM17 (0.55) ADAM17ADAM10MMP3MMP1TP53
SCHEMBL1503620 0.85 ADAM17 (0.55) ADAM17ADAM10MMP3MMP1TP53
SCHEMBL1503642 0.84 ADAM17 (0.53) ADAM17TP53
SCHEMBL1503541 0.84 ADAM17 (0.53) ADAM17TP53
SCHEMBL1504730 0.84 ADAM17 (0.44) ADAM17ADAM10MMP3ADAM9TP53
SCHEMBL10276770 0.83 ADAM17 (0.62) 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