SCHEMBL7572757

SCHEMBL7572757

CC(C)CC(NC(=O)Cc1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)NC(CN1CCN(CC(NC(=O)CC(C)(C)C)C(=O)O)CC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 12/20 0.50
▸ ITGA4 P13612 12/20 0.50
▸ CTSL P07711 1/20 0.42
▸ MMP2 P08253 3/20 0.42
▸ MMP3 P08254 2/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ REN P00797 1/20 0.41

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
SCHEMBL7542066 0.94 ITGB1 (0.47) ITGB1ITGA4
SCHEMBL7541830 0.94 ITGB1 (0.46) ITGB1ITGA4
SCHEMBL7544780 0.93 ITGB1 (0.45) ITGB1ITGA4
SCHEMBL7540132 0.93 ITGB1 (0.43) ITGB1ITGA4CTSLMMP2MMP3
SCHEMBL7546407 0.93 ANPEP (0.51) ITGB1ITGA4MMP1POLB
SCHEMBL7538323 0.90 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL7541132 0.89 CTSL (0.43) ITGB1ITGA4CTSLMMP2MMP3
SCHEMBL7540550 0.88 ITGB1 (0.40) ITGB1ITGA4CTSLMMP2MMP3
SCHEMBL7540560 0.88 ITGB1 (0.40) ITGB1ITGA4CTSLMMP2MMP3
SCHEMBL7541953 0.88 ITGB1 (0.47) ITGB1ITGA4MMP2MMP3MMP1

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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