SCHEMBL1504776

SCHEMBL1504776

CC(NC(=O)c1ccc(OCc2ccccc2)cc1)C(C(=O)O)N1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 11/20 0.63
CHRM4 P08173 1/20 0.47
ADAM10 O14672 1/20 0.46
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
TAOK1 Q7L7X3 1/20 0.44
TAOK3 Q9H2K8 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL1504857 0.90 ADAM17 (0.64) ADAM17
SCHEMBL1504674 0.85 ADAM17 (0.61) ADAM17ADAM10MMP3
SCHEMBL1504528 0.84 ADAM17 (0.62) ADAM17ADAM10MMP1MMP3
SCHEMBL1504682 0.83 ADAM17 (0.41) ADAM17ADAM10MMP3MEN1MAPK1
SCHEMBL1504606 0.82 ADAM17 (0.84) ADAM17ADAM10MMP1MMP3
SCHEMBL1504775 0.78 ADAM17 (0.81) ADAM17ADAM10MMP1MMP3
SCHEMBL1504920 0.77 ADAM17 (1.00) ADAM17ADAM10MMP1MMP3
SCHEMBL1504512 0.77 ADAM17 (1.00) ADAM17ADAM10MMP1MMP3
SCHEMBL1504731 0.75 ADAM17 (0.58) ADAM17ADAM10MMP1MMP3
SCHEMBL1503522 0.75 ADAM17 (0.65) ADAM17ADAM10MMP1MMP3HDAC1

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