SCHEMBL6892246

SCHEMBL6892246

CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC(C)(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.44
BCL2 P10415 1/20 0.43
HRAS P01112 1/20 0.42
MMP13 P45452 1/20 0.42
PSMB1 P20618 1/20 0.42
PSMB8 P28062 1/20 0.42
PSMB9 P28065 1/20 0.42
PSMB5 P28074 1/20 0.42
PSMB10 P40306 1/20 0.42
PSMB2 P49721 1/20 0.42
ALOX5 P09917 2/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
LTA4H P09960 2/20 0.41
OPRK1 P41145 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
YAP1 P46937 2/20 0.41
REN P00797 1/20 0.41
PPARG P37231 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
SCHEMBL6888134 0.91 REN (0.46) MMP13OPRK1REN
SCHEMBL6888131 0.91 REN (0.46) MMP13OPRK1REN
SCHEMBL6892571 0.89 MAOB (0.49) MAOBBCL2HRASMMP13ITGB3
SCHEMBL6892569 0.89 MAOB (0.49) MAOBBCL2HRASMMP13ITGB3
SCHEMBL6890928 0.87 PSMB1 (0.49) MAOBBCL2MMP13PSMB1PSMB8
SCHEMBL6890932 0.87 PSMB1 (0.49) MAOBBCL2MMP13PSMB1PSMB8
SCHEMBL6890591 0.85 EPOR (0.52) MAOBBCL2ITGB3ITGA2BREN
SCHEMBL16634946 0.84 ITGB3 (0.55) MAOBALOX5ITGB3ITGA2BLTA4H
SCHEMBL6474783 0.84 ITGB3 (0.55) MAOBALOX5ITGB3ITGA2BLTA4H
SCHEMBL29397771 0.84 ITGB3 (0.55) MAOBALOX5ITGB3ITGA2BLTA4H

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6737410-B1 SMOOTH MUSCLE ANTIPROLIFERATION AGENTS; SUCH AS 1-((2-(4-BENZYLOXY-PHENYL)-1-PHENETHYLCARBAMOYL-ETHYL)-METHYL-CARBAMOYL)-2 -(1H-IMIDAZOL-4-YL)-ETHYL)-CARBAMIC ACID BENZYL ESTER WARNER-LAMBERT COMPANY 2004-05-18 US disclosed
US-6265382-B1 E.G., (S--(R*, R*))-(1-((2-(4-BENZYLOXY-PHENYL)-1-PHENETHYLCARBAMOYL-ETHYL)-M ETHYL-CARBAM OYL)-2-(1H-IMIDAZOL-4-YL)-ETHYL)-CARBAMIC ACID BENZYL ESTER WARNER-LAMBERT COMPANY 2001-07-24 US disclosed