SCHEMBL1503620

SCHEMBL1503620

COCCOCOc1ccc(C(=O)NC[C@@H](C(=O)OC)N2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 10/20 0.55
TP53 P04637 2/20 0.53
ADAM10 O14672 2/20 0.52
MMP3 P08254 1/20 0.52
LMNA P02545 2/20 0.48
MMP1 P03956 1/20 0.47
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
GBA1 P04062 1/20 0.43

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
SCHEMBL1503675 1.00 ADAM17 (0.55) ADAM17TP53ADAM10MMP3LMNA
SCHEMBL10475882 0.92 ADAM17 (0.55) ADAM17TP53ADAM10MMP3LMNA
SCHEMBL10475842 0.92 ADAM17 (0.55) ADAM17TP53ADAM10MMP3LMNA
SCHEMBL1503642 0.90 ADAM17 (0.53) ADAM17TP53LMNAMAPTALDH1A1
SCHEMBL1503541 0.90 ADAM17 (0.53) ADAM17TP53LMNAMAPTALDH1A1
SCHEMBL1504730 0.90 ADAM17 (0.44) ADAM17TP53ADAM10MMP3ALDH1A1
SCHEMBL1504686 0.87 ADAM17 (0.62) ADAM17ADAM10MMP3MMP1ALDH1A1
SCHEMBL1504782 0.87 ADAM17 (0.62) ADAM17ADAM10MMP3MMP1ALDH1A1
SCHEMBL1504822 0.85 ADAM17 (0.51) ADAM17TP53ADAM10MMP3MMP1
SCHEMBL1503631 0.82 ADAM17 (0.52) ADAM17TP53ADAM10MMP3LMNA

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