SCHEMBL7541917

SCHEMBL7541917

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 1/20 0.39
▸ SORT1 Q99523 1/20 0.39
▸ CTSL P07711 2/20 0.39
▸ CTSS P25774 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ P2RX7 Q99572 2/20 0.36
▸ ITGB1 P05556 1/20 0.35
▸ ITGA4 P13612 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CTSK P43235 1/20 0.34
▸ PSMB11 A5LHX3 1/20 0.34
▸ PSMA7 O14818 1/20 0.34
▸ PSMB1 P20618 1/20 0.34
▸ PSMA1 P25786 1/20 0.34
▸ PSMA2 P25787 1/20 0.34
▸ PSMA3 P25788 1/20 0.34
▸ PSMA4 P25789 1/20 0.34

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
SCHEMBL7541918 0.94 CTSL (0.43) CTSLITGB1ITGA4
SCHEMBL7538222 0.93 CTSL (0.39) CTSLITGB1ITGA4CTSKFPR2
SCHEMBL7542429 0.93 P2RX7 (0.40) CTSLALDH1A1KEAP1NFE2L2P2RX7
SCHEMBL7538662 0.92 GRN (0.40) GRNSORT1CTSLCTSSLMNA
SCHEMBL7543417 0.89 CTSL (0.41) GRNSORT1CTSLCTSSP2RX7
SCHEMBL7539575 0.89 CTSL (0.39) GRNSORT1CTSLCTSSLMNA
SCHEMBL7538884 0.89 ITGB1 (0.44) GRNSORT1LMNAALDH1A1ITGB1
SCHEMBL7538889 0.89 ITGB1 (0.44) GRNSORT1LMNAALDH1A1ITGB1
SCHEMBL7538484 0.88 GRN (0.37) GRNSORT1CTSLCTSSLMNA
SCHEMBL7541723 0.88 CTSK (0.38) GRNSORT1CTSLCTSSLMNA

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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