SCHEMBL1504782

SCHEMBL1504782

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

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.62
ADAM10 O14672 2/20 0.58
MMP3 P08254 2/20 0.58
ADAM9 Q13443 1/20 0.58
MMP1 P03956 1/20 0.50
ALDH1A1 P00352 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
SCHEMBL1504686 1.00 ADAM17 (0.62) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL10276770 0.92 ADAM17 (0.62) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL10276145 0.92 ADAM17 (0.62) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL1504822 0.91 ADAM17 (0.51) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL1503620 0.87 ADAM17 (0.55) ADAM17ADAM10MMP3MMP1ALDH1A1
SCHEMBL1503675 0.87 ADAM17 (0.55) ADAM17ADAM10MMP3MMP1ALDH1A1
SCHEMBL1503642 0.85 ADAM17 (0.53) ADAM17ALDH1A1
SCHEMBL1503541 0.85 ADAM17 (0.53) ADAM17ALDH1A1
SCHEMBL1504730 0.85 ADAM17 (0.44) ADAM17ADAM10MMP3ADAM9ALDH1A1
SCHEMBL1504911 0.85 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