SCHEMBL7546106

SCHEMBL7546106

CC(C)CC(NC(=O)Cc1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)NC(C/C=C/CC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 11/20 0.49
▸ ITGA4 P13612 11/20 0.49
▸ FPR2 P25090 1/20 0.43
▸ MMP2 P08253 3/20 0.43
▸ MMP3 P08254 3/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CTSL P07711 1/20 0.42

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
SCHEMBL7546113 1.00 ITGB1 (0.49) ITGB1ITGA4FPR2MMP2MMP3
SCHEMBL7540159 0.94 ITGB1 (0.46) ITGB1ITGA4FPR2MMP2MAPT
SCHEMBL7539506 0.94 ITGB1 (0.44) ITGB1ITGA4FPR2MAPT
SCHEMBL7539509 0.94 ITGB1 (0.44) ITGB1ITGA4FPR2MAPT
SCHEMBL7540162 0.94 ITGB1 (0.46) ITGB1ITGA4FPR2MMP2MAPT
SCHEMBL7541217 0.93 ITGB1 (0.42) ITGB1ITGA4MMP2MMP3MMP1
SCHEMBL7538884 0.93 ITGB1 (0.44) ITGB1ITGA4FPR2MAPT
SCHEMBL7538889 0.93 ITGB1 (0.44) ITGB1ITGA4FPR2MAPT
SCHEMBL7541215 0.93 ITGB1 (0.42) ITGB1ITGA4MMP2MMP3MMP1
SCHEMBL7545877 0.92 ANPEP (0.53) ITGB1ITGA4FPR2MMP2MMP3

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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