SCHEMBL8540382

SCHEMBL8540382

CC(C)(C)OC(=O)NC(C=O)CCCCOCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.59
CTSL P07711 3/20 0.55
CTSB P07858 3/20 0.55
PPARA Q07869 2/20 0.55
CTSH P09668 1/20 0.50
PPARG P37231 1/20 0.50
CTSS P25774 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL8540381 1.00 CTSK (0.59) CTSKCTSLCTSBPPARACTSH
SCHEMBL5808813 0.84 CTSK (0.65) CTSKCTSLCTSBCTSHCTSS
SCHEMBL4126013 0.84 PPARA (0.63) CTSKCTSLCTSBPPARAPPARG
SCHEMBL271394 0.84 PPARA (0.63) CTSKCTSLCTSBPPARAPPARG
SCHEMBL2230694 0.84 PPARA (0.63) CTSKCTSLCTSBPPARAPPARG
SCHEMBL28516961 0.84 CTSK (0.57) CTSKCTSLCTSBCTSH
SCHEMBL8615711 0.84 PPARA (0.69) CTSKPPARAPPARGCTSSL3MBTL1
SCHEMBL4821212 0.84 MAPT (0.66) CTSKCTSLCTSB
SCHEMBL8311926 0.84 CTSK (0.56) CTSKCTSLCTSBCTSH
SCHEMBL8567696 0.83 PPARA (0.54) CTSKCTSLCTSBPPARAPPARG

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-0820445-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-28 EP disclosed