SCHEMBL765000

SCHEMBL765000

CCCc1ccc(CCCC(=O)OCC)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.62
CYP4A11 Q02928 3/20 0.62
CYP4Z1 Q86W10 3/20 0.61
CYP4F11 Q9HBI6 1/20 0.61
CYP4F12 Q9HCS2 1/20 0.61
ALOX5 P09917 2/20 0.58
MAPK1 P28482 2/20 0.54
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
FAAH O00519 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL10289901 0.93 CYP4Z1 (0.60) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL765847 0.89 CYP4F2 (0.62) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL10289874 0.89 CYP4F2 (0.62) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL10206072 0.89 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL5545806 0.88 CYP4F2 (0.60) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL22334798 0.88 CYP4F2 (0.65) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL5050631 0.88 CYP4F2 (0.60) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL9671800 0.87 CYP4Z1 (0.65) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL8754706 0.87 RARB (0.58) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL23959915 0.86 CYP4F2 (0.58) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951673-B1 HETEROCYCLIC CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-09-05 EP disclosed
EP-1954668-B9 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
EP-1954668-B1 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed