SCHEMBL7541953

SCHEMBL7541953

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 10/20 0.47
▸ ITGA4 P13612 10/20 0.47
▸ MMP3 P08254 6/20 0.46
▸ MMP2 P08253 4/20 0.46
▸ MMP1 P03956 2/20 0.46
▸ MAPT P10636 2/20 0.45
▸ MMP9 P14780 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 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
SCHEMBL7547334 0.94 NPY4R (0.45) ITGB1ITGA4MAPT
SCHEMBL7545162 0.94 ITGB1 (0.45) ITGB1ITGA4MMP3MMP2MMP1
SCHEMBL7541440 0.93 MMP3 (0.45) ITGB1ITGA4MMP3MMP2MMP1
SCHEMBL7538590 0.93 GRN (0.45) ITGB1ITGA4MAPT
SCHEMBL7543913 0.92 ANPEP (0.54) ITGB1ITGA4MMP3MMP2MMP1
SCHEMBL7541296 0.90 ITGB1 (0.45) ITGB1ITGA4MMP3MMP2MMP1
SCHEMBL7545718 0.90 ITGB1 (0.45) ITGB1ITGA4MMP3MMP2MMP1
SCHEMBL7546113 0.90 ITGB1 (0.49) ITGB1ITGA4MMP3MMP2MMP1
SCHEMBL7544830 0.90 MMP3 (0.47) ITGB1ITGA4MMP3MMP2MMP1
SCHEMBL7542175 0.90 ITGB1 (0.49) ITGB1ITGA4MMP3MMP2MMP1

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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