SCHEMBL7538484

SCHEMBL7538484

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 1/20 0.37
▸ SORT1 Q99523 1/20 0.37
▸ CTSL P07711 2/20 0.37
▸ CTSS P25774 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KEAP1 Q14145 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ P2RX7 Q99572 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ITGB1 P05556 4/20 0.33
▸ ITGA4 P13612 4/20 0.33
▸ MMP3 P08254 2/20 0.33
▸ MMP2 P08253 2/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ PSMB11 A5LHX3 1/20 0.33
▸ PSMA7 O14818 1/20 0.33
▸ PSMB1 P20618 1/20 0.33
▸ PSMA1 P25786 1/20 0.33
▸ PSMA2 P25787 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 0.94 CTSL (0.41) CTSLITGB1ITGA4MMP3MMP2
SCHEMBL7541267 0.93 P2RX7 (0.38) CTSLALDH1A1KEAP1NFE2L2P2RX7
SCHEMBL7540853 0.93 CTSL (0.37) CTSLITGB1ITGA4MMP3MMP2
SCHEMBL7541924 0.92 ANPEP (0.41) CTSLCTSSALDH1A1P2RX7KMT2A
SCHEMBL7538662 0.92 GRN (0.40) GRNSORT1CTSLCTSSALDH1A1
SCHEMBL7538819 0.90 CTSL (0.36) CTSLALDH1A1LMNAKMT2AITGB1
SCHEMBL7541602 0.89 GRN (0.41) GRNSORT1ALDH1A1LMNAITGB1
SCHEMBL7540987 0.89 GRN (0.41) GRNSORT1ALDH1A1LMNAITGB1
SCHEMBL7568018 0.88 CTSK (0.35) GRNSORT1CTSLCTSSALDH1A1
SCHEMBL7566389 0.88 CTSK (0.35) GRNSORT1CTSLCTSSALDH1A1

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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