SCHEMBL7544065

SCHEMBL7544065

CC(C)CC(C(=O)NC(Cc1ccccc1CC(NC(=O)Cc1ccccc1)C(=O)O)C(=O)O)c1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 6/20 0.47
▸ ITGA4 P13612 6/20 0.47
▸ FPR2 P25090 5/20 0.45
▸ MMP3 P08254 3/20 0.45
▸ MMP2 P08253 2/20 0.45
▸ MMP9 P14780 2/20 0.44
▸ MMP7 P09237 1/20 0.44
▸ MMP12 P39900 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ ACE P12821 1/20 0.43
▸ MMP8 P22894 1/20 0.43

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
SCHEMBL7545886 0.95 ITGB1 (0.47) ITGB1ITGA4FPR2MMP2MMP9
SCHEMBL7549214 0.95 ACE (0.46) ITGB1ITGA4FPR2MMP3MMP2
SCHEMBL7539243 0.94 CNR2 (0.45) ITGB1ITGA4FPR2MMP3MMP2
SCHEMBL7539503 0.94 FPR2 (0.56) ITGB1ITGA4FPR2MMP3
SCHEMBL7545871 0.93 RNASEL (0.43) MMP3MMP2MMP9MMP7MMP12
SCHEMBL7538904 0.91 MEN1 (0.48) ITGB1ITGA4FPR2MMP2
SCHEMBL7545902 0.89 ITGB1 (0.45) ITGB1ITGA4FPR2MMP3MMP2
SCHEMBL7545897 0.89 ITGB1 (0.45) ITGB1ITGA4FPR2MMP3MMP2
SCHEMBL7546445 0.88 GAA (0.44) FPR2MMP3MMP2MMP9MMP7
SCHEMBL7541611 0.84 CNR1 (0.46) ITGB1ITGA4FPR2

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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