SCHEMBL1504710

SCHEMBL1504710

COC(=O)[C@H](CNC(=O)OC(C)(C)C)N1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 14/20 0.45
ADAM10 O14672 1/20 0.38
MMP3 P08254 1/20 0.38
ADAM9 Q13443 1/20 0.38
CA12 O43570 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL1504673 1.00 ADAM17 (0.45) ADAM17ADAM10MMP3ADAM9CA12
SCHEMBL995014 0.89 ADAM17 (0.43) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL995012 0.89 ADAM17 (0.43) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL995255 0.89 ADAM17 (0.43) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL2681098 0.84 L3MBTL1 (0.40) CA12CA14ALDH1A1
SCHEMBL10079851 0.83 L3MBTL1 (0.39) CA12CA14ALDH1A1
SCHEMBL1503589 0.83 L3MBTL1 (0.39) CA12CA14ALDH1A1
SCHEMBL995159 0.82 MEN1 (0.38) CA12CA14ALDH1A1
SCHEMBL1504830 0.81 KDM4E (0.48) ADAM17ALDH1A1
SCHEMBL10313032 0.81 MEN1 (0.36) CA12CA14ALDH1A1

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