SCHEMBL7539795

SCHEMBL7539795

CC(C)(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NC(Cc1ccc(OCC2CCCCC2)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.48
ITGA2B P08514 6/20 0.48
MME P08473 4/20 0.48
ACE P12821 4/20 0.48
CPA1 P15085 4/20 0.48
ACE2 Q9BYF1 4/20 0.48
YAP1 P46937 3/20 0.47
LTA4H P09960 1/20 0.45
GPR88 Q9GZN0 1/20 0.44
ITGAV P06756 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 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
SCHEMBL7539801 1.00 ITGB3 (0.48) ITGB3ITGA2BMMEACECPA1
SCHEMBL7545946 0.93 YAP1 (0.51) YAP1GPR88
SCHEMBL7545944 0.93 YAP1 (0.51) YAP1GPR88
SCHEMBL7541287 0.87 MME (0.52) ITGB3ITGA2BMMEACECPA1
SCHEMBL7541284 0.87 MME (0.52) ITGB3ITGA2BMMEACECPA1
SCHEMBL7541280 0.87 MME (0.52) ITGB3ITGA2BMMEACECPA1
SCHEMBL7541764 0.84 MME (0.49) ITGB3ITGA2BMMEACECPA1
SCHEMBL7541768 0.84 MME (0.49) ITGB3ITGA2BMMEACECPA1
SCHEMBL7538205 0.82 MMP1 (0.55) ITGB3ITGA2BMMEACECPA1
SCHEMBL7538473 0.80 MMP1 (0.52) ITGB3ITGA2BMMEACECPA1

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
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP disclosed