SCHEMBL7547048

SCHEMBL7547048

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 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.44
▸ MMP3 P08254 7/20 0.40
▸ MMP2 P08253 5/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ ITGB1 P05556 4/20 0.38
▸ ITGA4 P13612 4/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 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

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
SCHEMBL7540855 0.94 CTSL (0.40) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7545083 0.94 P2RX7 (0.40) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7547249 0.93 ANPEP (0.44) CTSLMMP3MMP2MMP1MAPT
SCHEMBL7540003 0.92 CTSL (0.44) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7570081 0.91 CTSL (0.43) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7541918 0.91 CTSL (0.43) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7540704 0.91 CTSL (0.39) CTSLMMP1ITGB1ITGA4GAA
SCHEMBL7541132 0.89 CTSL (0.43) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7541691 0.89 ITGB1 (0.47) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7569287 0.88 CTSL (0.41) CTSLMMP3MMP2MMP1ITGB1

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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