SCHEMBL7540003

SCHEMBL7540003

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.44
▸ MMP3 P08254 11/20 0.42
▸ MMP2 P08253 7/20 0.41
▸ MMP1 P03956 2/20 0.41
▸ MMP9 P14780 1/20 0.40
▸ ITGB1 P05556 2/20 0.38
▸ ITGA4 P13612 2/20 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
▸ CTSK P43235 1/20 0.38
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 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
SCHEMBL7544736 0.94 NPY4R (0.42) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7547038 0.94 P2RX7 (0.40) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7538662 0.94 GRN (0.40) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7541663 0.93 ANPEP (0.44) CTSLMMP3MMP2MMP1MMP9
SCHEMBL7547048 0.92 CTSL (0.44) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7569287 0.92 CTSL (0.41) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7541918 0.91 CTSL (0.43) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7570081 0.91 CTSL (0.43) CTSLMMP3MMP2MMP1MMP9
SCHEMBL7544678 0.91 CTSL (0.39) CTSLMMP3MMP2MMP1GAA
SCHEMBL7541132 0.89 CTSL (0.43) 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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