SCHEMBL7567053

SCHEMBL7567053

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 9/20 0.36
▸ CTSS P25774 7/20 0.36
▸ CTSL P07711 6/20 0.33
▸ FOLH1 Q04609 1/20 0.33
▸ REN P00797 1/20 0.31
▸ CTSB P07858 2/20 0.31
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL7538431 1.00 CTSK (0.36) CTSKCTSSCTSLFOLH1REN
SCHEMBL7544773 0.95 CTSK (0.40) CTSKCTSSCTSLRENCTSB
SCHEMBL7567257 0.95 CTSK (0.40) CTSKCTSSCTSLRENCTSB
SCHEMBL7541260 0.94 CTSK (0.36) CTSKCTSSCTSLRENCTSB
SCHEMBL7566320 0.94 CTSK (0.36) CTSKCTSSCTSLRENCTSB
SCHEMBL7538332 0.93 CTSK (0.35) CTSKCTSSCTSLRENCTSB
SCHEMBL7570937 0.93 CTSK (0.35) CTSKCTSSCTSLRENCTSB
SCHEMBL7540764 0.93 ANPEP (0.38) CTSKCTSSCTSLRENCTSB
SCHEMBL7567398 0.93 ANPEP (0.38) CTSKCTSSCTSLRENCTSB
SCHEMBL7542622 0.91 CTSK (0.39) CTSKCTSSCTSLFOLH1CTSB

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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