SCHEMBL7541132

SCHEMBL7541132

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.43
▸ ITGB1 P05556 7/20 0.40
▸ ITGA4 P13612 7/20 0.40
▸ MMP3 P08254 3/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ REN P00797 1/20 0.37
▸ MME P08473 2/20 0.37
▸ ACE P12821 1/20 0.37
▸ CPA1 P15085 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ PSMB8 P28062 1/20 0.36

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
SCHEMBL7542750 0.95 CTSL (0.39) CTSLITGB1ITGA4MMP3MMP2
SCHEMBL7538913 0.95 CTSL (0.39) CTSLITGB1ITGA4MMP1CASP1
SCHEMBL7539575 0.94 CTSL (0.39) CTSLITGB1ITGA4PSMB8
SCHEMBL7541424 0.93 MMP1 (0.42) CTSLITGB1ITGA4MMP1REN
SCHEMBL7541145 0.91 CTSL (0.39) CTSLITGB1ITGA4ACE
SCHEMBL7540003 0.89 CTSL (0.44) CTSLITGB1ITGA4MMP3MMP2
SCHEMBL7547048 0.89 CTSL (0.44) CTSLITGB1ITGA4MMP3MMP2
SCHEMBL7572757 0.89 ITGB1 (0.50) CTSLITGB1ITGA4MMP3MMP2
SCHEMBL7541918 0.88 CTSL (0.43) CTSLITGB1ITGA4MMP3MMP2
SCHEMBL7570081 0.88 CTSL (0.43) CTSLITGB1ITGA4MMP3MMP2

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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