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Sugi Predict / Compounds / SCHEMBL1504775

SCHEMBL1504775

SCHEMBL1504775

COC(=O)[C@H](CNC(=O)c1ccc(OCc2ccccc2)cc1)N1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 18/20 0.81
▸ ADAM10 O14672 3/20 0.59
▸ MMP3 P08254 3/20 0.59
▸ MMP1 P03956 1/20 0.59
▸ ADAM9 Q13443 1/20 0.57
▸ HTT P42858 1/20 0.51

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
SCHEMBL1504937 0.93 ADAM17 (0.83) ADAM17ADAM10MMP3MMP1ADAM9
SCHEMBL1504606 0.92 ADAM17 (0.84) ADAM17ADAM10MMP3MMP1ADAM9
SCHEMBL1504973 0.92 ADAM17 (0.82) ADAM17ADAM10MMP3MMP1ADAM9
SCHEMBL1504700 0.91 ADAM17 (0.82) ADAM17ADAM10MMP3MMP1ADAM9
SCHEMBL1504920 0.90 ADAM17 (1.00) ADAM17ADAM10MMP3MMP1ADAM9
SCHEMBL1504512 0.90 ADAM17 (1.00) ADAM17ADAM10MMP3MMP1ADAM9
SCHEMBL1504803 0.89 ADAM17 (0.82) ADAM17ADAM10MMP3MMP1ADAM9
SCHEMBL1504741 0.87 ADAM17 (0.83) ADAM17ADAM10MMP3MMP1ADAM9
SCHEMBL1504875 0.85 ADAM17 (0.83) ADAM17ADAM10MMP3MMP1ADAM9
SCHEMBL27977398 0.85 ADAM17 (0.66) ADAM17MMP3MMP1

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