SCHEMBL7564982

SCHEMBL7564982

CC(C)CC(C(=O)NC(CCSCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)c1ccc(NC(=NC#N)Nc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 6/20 0.40
▸ CTSS P25774 3/20 0.40
▸ CTSL P07711 4/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ PGGT1B P53609 1/20 0.34
▸ ACE P12821 3/20 0.34
▸ MMP3 P08254 4/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 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
SCHEMBL7571448 0.95 CTSK (0.35) CTSKCTSSCTSLACECTSB
SCHEMBL7568185 0.95 CTSK (0.35) CTSKCTSSCTSLMAPTACE
SCHEMBL7566382 0.94 ACE (0.36) CTSKCTSSCTSLFNTAFNTB
SCHEMBL7563255 0.93 ACE (0.38) CTSKCTSSCTSLGAAACE
SCHEMBL7565475 0.91 ACE (0.39) CTSKCTSSCTSLGAAMAPT
SCHEMBL7546039 0.91 CTSK (0.43) CTSKCTSSCTSLGAAMAPT
SCHEMBL7544141 0.89 GAA (0.40) CTSKCTSSGAAMAPTHPGD
SCHEMBL7542063 0.89 GAA (0.40) CTSKCTSSGAAMAPTHPGD
SCHEMBL7538354 0.87 GAA (0.41) CTSKCTSSGAAMAPTHPGD
SCHEMBL7564315 0.87 CTSK (0.40) CTSKCTSSCTSLGAAMAPT

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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