SCHEMBL7540980

SCHEMBL7540980

CC(C)CC(NC(=O)Cc1ccc(NC(=O)Nc2ccc(O)cc2)cc1)C(=O)NC(CC#CCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.43
▸ ITGB1 P05556 8/20 0.43
▸ ITGA4 P13612 8/20 0.43
▸ MAPT P10636 1/20 0.42
▸ ANPEP P15144 1/20 0.41
▸ FPR2 P25090 3/20 0.41
▸ CTSL P07711 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 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
SCHEMBL7541691 0.94 ITGB1 (0.47) ITGB1ITGA4MAPTCTSL
SCHEMBL7541160 0.93 ITGB1 (0.44) ITGB1ITGA4MAPTANPEPFPR2
SCHEMBL7542475 0.92 GRN (0.44) ITGB1ITGA4MAPTANPEPFPR2
SCHEMBL7546480 0.91 ANPEP (0.53) ITGB1ITGA4MAPTANPEPFPR2
SCHEMBL7547334 0.90 NPY4R (0.45) FOLH1ITGB1ITGA4MAPTANPEP
SCHEMBL7542806 0.89 ITGB1 (0.44) FOLH1ITGB1ITGA4MAPTANPEP
SCHEMBL7539509 0.89 ITGB1 (0.44) FOLH1ITGB1ITGA4MAPTANPEP
SCHEMBL7539506 0.89 ITGB1 (0.44) FOLH1ITGB1ITGA4MAPTANPEP
SCHEMBL7540855 0.89 CTSL (0.40) FOLH1ITGB1ITGA4MAPTCTSL
SCHEMBL7542054 0.89 MEN1 (0.41) ITGB1ITGA4MAPTANPEPFPR2

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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