SCHEMBL1504803

SCHEMBL1504803

COC(=O)[C@H](CNC(=O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1)N1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 16/20 0.82
ADAM10 O14672 3/20 0.54
MMP3 P08254 3/20 0.54
ADAM9 Q13443 1/20 0.54
MMP1 P03956 1/20 0.51
SLC6A5 Q9Y345 2/20 0.49
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MAOB P27338 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
SCHEMBL10276025 0.92 ADAM17 (0.84) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL1504700 0.91 ADAM17 (0.82) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL1504937 0.91 ADAM17 (0.83) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL1504117 0.90 ADAM17 (1.00) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL1504973 0.90 ADAM17 (0.82) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL1504775 0.89 ADAM17 (0.81) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL1504741 0.84 ADAM17 (0.83) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL1504810 0.83 ADAM17 (0.83) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL1504644 0.82 ADAM17 (1.00) ADAM17ADAM10MMP3ADAM9MMP1
SCHEMBL1504875 0.82 ADAM17 (0.83) 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