SCHEMBL7538346

SCHEMBL7538346

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(O)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.38
▸ CTSS P25774 7/20 0.38
▸ CTSL P07711 6/20 0.35
▸ FOLH1 Q04609 2/20 0.35
▸ FPR2 P25090 2/20 0.33
▸ OPRD1 P41143 1/20 0.32
▸ CTSB P07858 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ACE P12821 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 0.94 CTSK (0.38) CTSKCTSSCTSLFPR2CTSB
SCHEMBL7541723 0.93 CTSK (0.38) CTSKCTSSCTSLFPR2CTSB
SCHEMBL7541782 0.91 ANPEP (0.40) CTSKCTSSCTSLFPR2CTSB
SCHEMBL7542622 0.91 CTSK (0.39) CTSKCTSSCTSLFOLH1FPR2
SCHEMBL7547089 0.90 CTSS (0.35) CTSKCTSSCTSLFPR2GAA
SCHEMBL7569173 0.89 CTSK (0.41) CTSKCTSSCTSLFOLH1GAA
SCHEMBL7538431 0.88 CTSK (0.36) CTSKCTSSCTSLFOLH1CTSB
SCHEMBL7567053 0.88 CTSK (0.36) CTSKCTSSCTSLFOLH1CTSB
SCHEMBL7565029 0.88 CTSK (0.36) 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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