SCHEMBL1503701

SCHEMBL1503701

CC#CCOc1ccc(C(=O)NC[C@@H](C(=O)OC)C2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 11/20 0.56
MMP13 P45452 2/20 0.52
MMP9 P14780 2/20 0.52
ADAM10 O14672 1/20 0.48
MMP3 P08254 1/20 0.48
ADAM9 Q13443 1/20 0.48
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MDM2 Q00987 1/20 0.40

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
SCHEMBL1503703 1.00 ADAM17 (0.56) ADAM17MMP13MMP9ADAM10MMP3
SCHEMBL10475829 0.91 ADAM17 (0.57) ADAM17MMP13MMP9ADAM10MMP3
SCHEMBL10475830 0.91 ADAM17 (0.57) ADAM17MMP13MMP9ADAM10MMP3
SCHEMBL1504705 0.77 ADAM17 (0.60) ADAM17MMP13MMP9ADAM10MMP3
SCHEMBL1503702 0.75 ADAM17 (0.52) ADAM17MMP13MMP9ADAM10MMP3
SCHEMBL1503594 0.74 ADAM17 (0.81) ADAM17ADAM10MMP3ADAM9
SCHEMBL1503646 0.74 ADAM17 (0.81) ADAM17ADAM10MMP3ADAM9
SCHEMBL1503704 0.73 ADAM17 (0.49) ADAM17MMP13MMP9ADAM10MMP3
SCHEMBL5527570 0.72 CTSL (0.53) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1503492 0.72 ADAM17 (1.00) ADAM17ADAM10MMP3ADAM9

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-2011033010-A1 4-ALKOXY-N- (2-HYDROXYCARBAMOYL-2-PIPERIDINYL-ETHYL) -BENZAMIDE COMPOUNDS AS SELECTIVE TACE-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-03-24 WO disclosed