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SCHEMBL7544863

SCHEMBL7544863

CC(C)CC(NC(=O)Cc1ccc(NC(=O)Nc2ccc(O)cc2)cc1)C(=O)NC(CCNCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 9/20 0.41
▸ ITGA4 P13612 9/20 0.41
▸ FOLH1 Q04609 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ ANPEP P15144 1/20 0.39
▸ FPR2 P25090 3/20 0.38
▸ NPY4R P50391 1/20 0.37

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
SCHEMBL7544936 1.00 ITGB1 (0.41) ITGB1ITGA4FOLH1MAPTANPEP
SCHEMBL7541296 0.94 ITGB1 (0.45) ITGB1ITGA4MAPT
SCHEMBL7545718 0.94 ITGB1 (0.45) ITGB1ITGA4MAPT
SCHEMBL7541044 0.93 ITGB1 (0.42) ITGB1ITGA4MAPTANPEPFPR2
SCHEMBL7547298 0.93 ITGB1 (0.42) ITGB1ITGA4MAPTANPEPFPR2
SCHEMBL7541602 0.93 GRN (0.41) ITGB1ITGA4MAPTANPEPFPR2
SCHEMBL7540987 0.93 GRN (0.41) ITGB1ITGA4MAPTANPEPFPR2
SCHEMBL7539262 0.92 ANPEP (0.50) ITGB1ITGA4MAPTANPEPFPR2
SCHEMBL7565957 0.92 ANPEP (0.50) ITGB1ITGA4MAPTANPEPFPR2
SCHEMBL7547334 0.91 NPY4R (0.45) ITGB1ITGA4FOLH1MAPTANPEP

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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