SCHEMBL7568018

SCHEMBL7568018

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.35
▸ CTSS P25774 3/20 0.35
▸ FFAR2 O15552 1/20 0.33
▸ GRN P28799 1/20 0.33
▸ SORT1 Q99523 1/20 0.33
▸ CTSL P07711 4/20 0.33
▸ MAPK1 P28482 1/20 0.31
▸ FOLH1 Q04609 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ UTS2R Q9UKP6 2/20 0.31
▸ ADCY6 O43306 1/20 0.31
▸ ADCY3 O60266 1/20 0.31
▸ ADCY9 O60503 1/20 0.31
▸ ADCY5 O95622 1/20 0.31
▸ ADCY8 P40145 1/20 0.31
▸ GCGR P47871 1/20 0.31
▸ ADCY7 P51828 1/20 0.31
▸ ADCY2 Q08462 1/20 0.31
▸ ADCY1 Q08828 1/20 0.31
▸ ADCY4 Q8NFM4 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
SCHEMBL7566389 1.00 CTSK (0.35) CTSKCTSSFFAR2GRNSORT1
SCHEMBL7565424 0.94 CTSK (0.40) CTSKCTSSCTSLCTSB
SCHEMBL7564315 0.94 CTSK (0.40) CTSKCTSSCTSLCTSB
SCHEMBL7565029 0.93 CTSK (0.36) CTSKCTSSCTSLFOLH1CTSB
SCHEMBL7565354 0.93 CTSK (0.36) CTSKCTSSCTSLFOLH1CTSB
SCHEMBL7565898 0.93 CTSK (0.36) CTSKCTSSCTSLMAPK1ALDH1A1
SCHEMBL7567146 0.93 CTSK (0.36) CTSKCTSSCTSLMAPK1ALDH1A1
SCHEMBL7542723 0.92 CTSK (0.38) CTSKCTSSFFAR2GRNSORT1
SCHEMBL7567905 0.91 ANPEP (0.38) CTSKCTSSCTSLCTSB
SCHEMBL7573608 0.91 ANPEP (0.38) CTSKCTSSCTSLCTSB

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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