SCHEMBL765422

SCHEMBL765422

CCOC(=O)CCCCCc1ccc(CC(C)CC)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 3/20 0.53
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
CYP4F11 Q9HBI6 1/20 0.48
CYP4F12 Q9HCS2 1/20 0.48
ALOX5 P09917 1/20 0.46
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TBXAS1 P24557 1/20 0.42
MGLL Q99685 2/20 0.41
LPAR1 Q92633 3/20 0.41

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
SCHEMBL12329325 0.94 CYP4Z1 (0.53) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL765861 0.89 CYP4Z1 (0.55) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL13104147 0.88 CYP4F2 (0.64) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL9671800 0.87 CYP4Z1 (0.65) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL764925 0.83 CYP4Z1 (0.55) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL13491999 0.82 MAPT (0.57) MAPK1TBXAS1
SCHEMBL764890 0.82 CYP4Z1 (0.56) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL10289901 0.82 CYP4Z1 (0.60) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL6204525 0.82 CYP4Z1 (0.60) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL10929511 0.82 CYP4Z1 (0.60) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12

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-1954668-B9 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed