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SCHEMBL7541160

SCHEMBL7541160

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 9/20 0.44
▸ ITGA4 P13612 9/20 0.44
▸ MAPT P10636 1/20 0.42
▸ ANPEP P15144 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ FPR2 P25090 3/20 0.41
▸ MMP2 P08253 1/20 0.40

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) ITGB1ITGA4MAPTMMP2
SCHEMBL7540980 0.93 FOLH1 (0.43) ITGB1ITGA4MAPTANPEPFPR2
SCHEMBL7542475 0.92 GRN (0.44) ITGB1ITGA4MAPTANPEPMAPK1
SCHEMBL7546480 0.91 ANPEP (0.53) ITGB1ITGA4MAPTANPEPFPR2
SCHEMBL7545162 0.90 ITGB1 (0.45) ITGB1ITGA4MAPTANPEPMAPK1
SCHEMBL7540162 0.89 ITGB1 (0.46) ITGB1ITGA4MAPTANPEPMAPK1
SCHEMBL7540159 0.89 ITGB1 (0.46) ITGB1ITGA4MAPTANPEPMAPK1
SCHEMBL7545785 0.89 ITGB1 (0.46) ITGB1ITGA4MAPTANPEPMAPK1
SCHEMBL7545083 0.89 P2RX7 (0.40) ITGB1ITGA4MAPTANPEPMAPK1
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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