SCHEMBL7540799

SCHEMBL7540799

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 10/20 0.42
▸ ITGA4 P13612 10/20 0.42
▸ ANPEP P15144 2/20 0.40
▸ MMP2 P08253 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MMP1 P03956 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MAPK1 P28482 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
SCHEMBL7542140 0.94 ITGB1 (0.44) ITGB1ITGA4ANPEPMMP2MMP1
SCHEMBL7541673 0.93 ANPEP (0.50) ITGB1ITGA4ANPEPMMP2ALDH1A1
SCHEMBL7539323 0.90 MEN1 (0.39) ITGB1ITGA4ANPEPALDH1A1MAPT
SCHEMBL7545162 0.90 ITGB1 (0.45) ITGB1ITGA4ANPEPMMP2MAPT
SCHEMBL7541227 0.89 MMP2 (0.37) ITGB1ITGA4ANPEPMMP2ALDH1A1
SCHEMBL7541030 0.88 MMP3 (0.41) ITGB1ITGA4MMP2ALDH1A1MAPT
SCHEMBL7545845 0.87 MAPK1 (0.37) ANPEPALDH1A1MAPTMAPK1FPR2
SCHEMBL7547298 0.86 ITGB1 (0.42) ITGB1ITGA4ANPEPMMP2MAPT
SCHEMBL7541044 0.86 ITGB1 (0.42) ITGB1ITGA4ANPEPMMP2MAPT
SCHEMBL7541160 0.85 ITGB1 (0.44) ITGB1ITGA4ANPEPMMP2MAPT

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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