SCHEMBL7541918

SCHEMBL7541918

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.43
▸ ITGB1 P05556 4/20 0.39
▸ ITGA4 P13612 4/20 0.39
▸ MMP3 P08254 7/20 0.39
▸ MMP2 P08253 5/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ CASP1 P29466 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ REN P00797 1/20 0.37
▸ MME P08473 2/20 0.36
▸ ACE P12821 1/20 0.36
▸ CPA1 P15085 1/20 0.36
▸ ACE2 Q9BYF1 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
SCHEMBL7542429 0.94 P2RX7 (0.40) CTSLITGB1ITGA4MMP3MMP2
SCHEMBL7538222 0.94 CTSL (0.39) CTSLITGB1ITGA4MMP3MMP2
SCHEMBL7541917 0.94 GRN (0.39) CTSLITGB1ITGA4
SCHEMBL7547048 0.91 CTSL (0.44) CTSLITGB1ITGA4MMP3MMP2
SCHEMBL7540003 0.91 CTSL (0.44) CTSLITGB1ITGA4MMP3MMP2
SCHEMBL7570081 0.91 CTSL (0.43) CTSLITGB1ITGA4MMP3MMP2
SCHEMBL7541132 0.88 CTSL (0.43) CTSLITGB1ITGA4MMP3MMP2
SCHEMBL7546113 0.88 ITGB1 (0.49) CTSLITGB1ITGA4MMP3MMP2
SCHEMBL7546106 0.88 ITGB1 (0.49) CTSLITGB1ITGA4MMP3MMP2
SCHEMBL7569287 0.88 CTSL (0.41) 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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