SCHEMBL7565029

SCHEMBL7565029

CC(C)CC(C(=O)NC(CNCCC(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 9)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.36
▸ CTSS P25774 6/20 0.36
▸ CTSL P07711 5/20 0.33
▸ FOLH1 Q04609 1/20 0.33
▸ 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
SCHEMBL7565354 1.00 CTSK (0.36) CTSKCTSSCTSLFOLH1CTSB
SCHEMBL7565424 0.95 CTSK (0.40) CTSKCTSSCTSLCTSBGAA
SCHEMBL7564315 0.95 CTSK (0.40) CTSKCTSSCTSLCTSBGAA
SCHEMBL7565898 0.94 CTSK (0.36) CTSKCTSSCTSLCTSBGAA
SCHEMBL7567146 0.94 CTSK (0.36) CTSKCTSSCTSLCTSBGAA
SCHEMBL7568018 0.93 CTSK (0.35) CTSKCTSSCTSLFOLH1CTSB
SCHEMBL7566389 0.93 CTSK (0.35) CTSKCTSSCTSLFOLH1CTSB
SCHEMBL7573608 0.92 ANPEP (0.38) CTSKCTSSCTSLCTSB
SCHEMBL7567905 0.92 ANPEP (0.38) CTSKCTSSCTSLCTSB
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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