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SCHEMBL7546281

SCHEMBL7546281

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 9/20 0.44
▸ ITGA4 P13612 9/20 0.44
▸ MMP3 P08254 6/20 0.42
▸ MMP2 P08253 4/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ FPR2 P25090 1/20 0.40
▸ MAPT P10636 1/20 0.39

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
SCHEMBL7538982 1.00 ITGB1 (0.44) ITGB1ITGA4MMP3MMP2MMP1
SCHEMBL7541939 1.00 ITGB1 (0.44) ITGB1ITGA4MMP3MMP2MMP1
SCHEMBL7541947 1.00 ITGB1 (0.44) ITGB1ITGA4MMP3MMP2MMP1
SCHEMBL7540012 0.94 ITGB1 (0.40) ITGB1ITGA4MMP3MMP2MMP1
SCHEMBL7540772 0.94 ACE (0.42) ITGB1ITGA4MMP3MMP2MMP1
SCHEMBL7542535 0.94 ACE (0.42) ITGB1ITGA4MMP3MMP2MMP1
SCHEMBL7544953 0.94 MMP3 (0.41) ITGB1ITGA4MMP3MMP2MMP1
SCHEMBL7545905 0.94 MMP3 (0.41) ITGB1ITGA4MMP3MMP2MMP1
SCHEMBL7545838 0.93 ANPEP (0.49) ITGB1ITGA4MMP3MMP1FPR2
SCHEMBL7538562 0.93 ANPEP (0.49) ITGB1ITGA4MMP3MMP1FPR2

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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