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SCHEMBL7569287

SCHEMBL7569287

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.41
▸ MMP3 P08254 10/20 0.39
▸ MMP2 P08253 7/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ ITGB1 P05556 6/20 0.36
▸ ITGA4 P13612 6/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP3 P42574 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
SCHEMBL7540853 0.95 CTSL (0.37) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7541267 0.95 P2RX7 (0.38) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7538484 0.94 GRN (0.37) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7541924 0.94 ANPEP (0.41) CTSLMMP3MMP2MMP1
SCHEMBL7540003 0.92 CTSL (0.44) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7538819 0.92 CTSL (0.36) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7545718 0.89 ITGB1 (0.45) MMP3MMP2MMP1ITGB1ITGA4
SCHEMBL7541296 0.89 ITGB1 (0.45) MMP3MMP2MMP1ITGB1ITGA4
SCHEMBL7547048 0.88 CTSL (0.44) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7565424 0.88 CTSK (0.40) CTSLMMP3MMP2MMP1

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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