SCHEMBL3469168

SCHEMBL3469168

CCCCSCC(=O)CC(CC)(CC)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
CES1 P23141 5/20 0.42
CES2 O00748 3/20 0.38
MAPT P10636 3/20 0.38
THRB P10828 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
BLM P54132 1/20 0.38
FAAH O00519 4/20 0.37
PLA2G6 O60733 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLA2G4B P0C869 5/20 0.33
ABL1 P00519 1/20 0.32

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
SCHEMBL3468249 0.76 CYP4F2 (0.44) CYP4F2CYP4A11MAPTTHRBMEN1
SCHEMBL11451516 0.74 HSD17B10 (0.50) CES1CES2MAPTTHRBHSD17B10
SCHEMBL9457646 0.72 CES1 (0.45) CES1CES2MAPTTHRBHSD17B10
SCHEMBL11084109 0.72 CES1 (0.59) CES1CES2MAPTTHRBHSD17B10
SCHEMBL1710113 0.71 CES1 (0.50) CES1CES2MAPTTHRBHSD17B10
SCHEMBL5557393 0.71 CYP4F2 (0.72) CYP4F2CYP4A11MAPTTHRBHSD17B10
SCHEMBL444076 0.70 CYP4F2 (0.63) CYP4F2CYP4A11MAPTTHRBHSD17B10
SCHEMBL20262480 0.69 CYP4F2 (0.53) CYP4F2CYP4A11THRBHSD17B10POLB
SCHEMBL11706612 0.69 CYP4F2 (0.53) CYP4F2CYP4A11THRBHSD17B10MEN1
SCHEMBL14535085 0.68 CES1 (0.55) CES1CES2MAPTTHRBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144875-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-01-20 EP disclosed
WO-2008137609-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed