SCHEMBL7541723

SCHEMBL7541723

CC(C)CC(C(=O)NC(CC=CCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)c1ccc(NC(=NC#N)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.38
▸ CTSS P25774 5/20 0.38
▸ FFAR2 O15552 1/20 0.35
▸ GRN P28799 1/20 0.35
▸ SORT1 Q99523 1/20 0.35
▸ CTSL P07711 5/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KCNJ11 Q14654 3/20 0.32
▸ CTSB P07858 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL7540886 0.94 CTSK (0.43) CTSKCTSSCTSLFPR2CTSB
SCHEMBL7541120 0.93 CTSK (0.38) CTSKCTSSCTSLMAPK1FPR2
SCHEMBL7538346 0.93 CTSK (0.38) CTSKCTSSCTSLFPR2CTSB
SCHEMBL7542723 0.91 CTSK (0.38) CTSKCTSSFFAR2GRNSORT1
SCHEMBL7541782 0.91 ANPEP (0.40) CTSKCTSSCTSLFPR2ALDH1A1
SCHEMBL7547089 0.89 CTSS (0.35) CTSKCTSSCTSLFPR2ALDH1A1
SCHEMBL7571661 0.89 CTSK (0.40) CTSKCTSSFFAR2GRNSORT1
SCHEMBL7568018 0.88 CTSK (0.35) CTSKCTSSFFAR2GRNSORT1
SCHEMBL7570937 0.88 CTSK (0.35) CTSKCTSSFFAR2GRNSORT1
SCHEMBL7566389 0.88 CTSK (0.35) CTSKCTSSFFAR2GRNSORT1

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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