SCHEMBL7538884

SCHEMBL7538884

CC(C)CC(NC(=O)Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)NC(C/C=C/CC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 6/20 0.44
▸ ITGA4 P13612 6/20 0.44
▸ GRN P28799 1/20 0.44
▸ SORT1 Q99523 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ FPR2 P25090 3/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ ANPEP P15144 1/20 0.40
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL7538889 1.00 ITGB1 (0.44) ITGB1ITGA4GRNSORT1ALDH1A1
SCHEMBL7546106 0.93 ITGB1 (0.49) ITGB1ITGA4FPR2MAPT
SCHEMBL7546113 0.93 ITGB1 (0.49) ITGB1ITGA4FPR2MAPT
SCHEMBL7540162 0.92 ITGB1 (0.46) ITGB1ITGA4FPR2MAPK1MAPT
SCHEMBL7540159 0.92 ITGB1 (0.46) ITGB1ITGA4FPR2MAPK1MAPT
SCHEMBL7539509 0.92 ITGB1 (0.44) ITGB1ITGA4FPR2MAPTANPEP
SCHEMBL7539506 0.92 ITGB1 (0.44) ITGB1ITGA4FPR2MAPTANPEP
SCHEMBL7545874 0.90 ANPEP (0.53) ITGB1ITGA4ALDH1A1LMNAFPR2
SCHEMBL7545877 0.90 ANPEP (0.53) ITGB1ITGA4ALDH1A1LMNAFPR2
SCHEMBL7538590 0.90 GRN (0.45) ITGB1ITGA4GRNSORT1ALDH1A1

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
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