SCHEMBL7540987

SCHEMBL7540987

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 1/20 0.41
▸ SORT1 Q99523 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ITGB1 P05556 8/20 0.40
▸ ITGA4 P13612 8/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ANPEP P15144 1/20 0.38
▸ FPR2 P25090 2/20 0.38

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
SCHEMBL7541602 1.00 GRN (0.41) GRNSORT1ALDH1A1LMNAITGB1
SCHEMBL7545718 0.93 ITGB1 (0.45) ITGB1ITGA4MAPT
SCHEMBL7541296 0.93 ITGB1 (0.45) ITGB1ITGA4MAPT
SCHEMBL7544936 0.93 ITGB1 (0.41) ITGB1ITGA4MAPTANPEPFPR2
SCHEMBL7541044 0.93 ITGB1 (0.42) ITGB1ITGA4MAPK1MAPTANPEP
SCHEMBL7547298 0.93 ITGB1 (0.42) ITGB1ITGA4MAPK1MAPTANPEP
SCHEMBL7544863 0.93 ITGB1 (0.41) ITGB1ITGA4MAPTANPEPFPR2
SCHEMBL7565957 0.91 ANPEP (0.50) ALDH1A1ITGB1ITGA4MAPTANPEP
SCHEMBL7539262 0.91 ANPEP (0.50) ALDH1A1ITGB1ITGA4MAPTANPEP
SCHEMBL7538590 0.91 GRN (0.45) GRNSORT1ALDH1A1LMNAITGB1

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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