SCHEMBL7541267

SCHEMBL7541267

Cc1ccc(NC(=NC#N)Nc2ccc(CC(=O)NC(CC(C)C)C(=O)NC(CCNCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.38
▸ CTSL P07711 2/20 0.37
▸ MMP2 P08253 2/20 0.36
▸ MMP3 P08254 3/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ ITGB1 P05556 8/20 0.35
▸ ITGA4 P13612 8/20 0.35
▸ CTSK P43235 1/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ANPEP P15144 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL7569287 0.95 CTSL (0.41) CTSLMMP2MMP3MMP1ITGB1
SCHEMBL7540853 0.94 CTSL (0.37) CTSLMMP2MMP3MMP1ITGB1
SCHEMBL7538484 0.93 GRN (0.37) P2RX7CTSLMMP2MMP3MMP1
SCHEMBL7541924 0.93 ANPEP (0.41) P2RX7CTSLMMP2MMP3MMP1
SCHEMBL7547038 0.92 P2RX7 (0.40) P2RX7CTSLMMP2MMP3MMP1
SCHEMBL7538819 0.91 CTSL (0.36) CTSLMMP2MMP3MMP1ITGB1
SCHEMBL7547298 0.89 ITGB1 (0.42) MMP2MMP3MMP1ITGB1ITGA4
SCHEMBL7541044 0.89 ITGB1 (0.42) MMP2MMP3MMP1ITGB1ITGA4
SCHEMBL7545083 0.89 P2RX7 (0.40) P2RX7CTSLMMP2MMP3MMP1
SCHEMBL7565898 0.88 CTSK (0.36) P2RX7CTSLMMP2CTSKALDH1A1

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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