SCHEMBL1503702

SCHEMBL1503702

CC#CCOc1ccc(C(=O)NC(C)C(C(=O)O)C2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 11/20 0.52
MMP13 P45452 3/20 0.52
MMP9 P14780 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
CTSL P07711 1/20 0.42
ADAM10 O14672 1/20 0.42
MMP3 P08254 1/20 0.42
ADAM9 Q13443 1/20 0.42
MMP1 P03956 1/20 0.41
HRH3 Q9Y5N1 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
SCHEMBL10475830 0.80 ADAM17 (0.57) ADAM17MMP13MMP9SMN1; SMN2NPSR1
SCHEMBL10475829 0.80 ADAM17 (0.57) ADAM17MMP13MMP9SMN1; SMN2NPSR1
SCHEMBL1503648 0.79 ADAM17 (0.59) ADAM17MMP13MMP9SMN1; SMN2NPSR1
SCHEMBL1503701 0.75 ADAM17 (0.56) ADAM17MMP13MMP9SMN1; SMN2NPSR1
SCHEMBL1503703 0.75 ADAM17 (0.56) ADAM17MMP13MMP9SMN1; SMN2NPSR1
SCHEMBL6658737 0.75 ADAM17 (0.78) ADAM17MMP13MMP9MMP1
SCHEMBL13337634 0.74 ADAM17 (0.51) ADAM17MMP13MMP9ADAM10MMP3
SCHEMBL1504528 0.73 ADAM17 (0.62) ADAM17MMP13MMP9ADAM10MMP3
SCHEMBL1503704 0.73 ADAM17 (0.49) ADAM17MMP13MMP9SMN1; SMN2NPC1
SCHEMBL1504705 0.72 ADAM17 (0.60) ADAM17MMP13MMP9NPSR1NPC1

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