SCHEMBL7544830

SCHEMBL7544830

CC(C)CC(NC(=O)Cc1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)NC(Cc1ccccc1CC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 5/20 0.47
▸ MMP2 P08253 4/20 0.47
▸ ITGB1 P05556 8/20 0.47
▸ ITGA4 P13612 8/20 0.47
▸ MMP1 P03956 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ REN P00797 1/20 0.44
▸ 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
SCHEMBL7542034 0.96 ITGB1 (0.47) MMP3MMP2ITGB1ITGA4MMP1
SCHEMBL7539004 0.96 FOLH1 (0.46) MMP3MMP2ITGB1ITGA4MMP1
SCHEMBL7540009 0.95 ITGB1 (0.45) MMP3MMP2ITGB1ITGA4MMP1
SCHEMBL7546973 0.94 ANPEP (0.52) MMP3ITGB1ITGA4MMP1MMP9
SCHEMBL7547312 0.93 MMP3 (0.44) MMP3MMP2ITGB1ITGA4MMP1
SCHEMBL7541665 0.92 MEN1 (0.46) MMP3MMP2ITGB1ITGA4MMP1
SCHEMBL7541953 0.90 ITGB1 (0.47) MMP3MMP2ITGB1ITGA4MMP1
SCHEMBL7546113 0.89 ITGB1 (0.49) MMP3MMP2ITGB1ITGA4MMP1
SCHEMBL7546106 0.89 ITGB1 (0.49) MMP3MMP2ITGB1ITGA4MMP1
SCHEMBL7542175 0.89 ITGB1 (0.49) MMP3MMP2ITGB1ITGA4MMP1

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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