SCHEMBL4249052

SCHEMBL4249052

CCCc1cccc(OCCCCCOCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PLA2G4B P0C869 2/20 0.51
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
BCHE P06276 3/20 0.48
MGLL Q99685 1/20 0.47
TSHR P16473 1/20 0.47
CYP2D6 P10635 1/20 0.46
GGPS1 O95749 1/20 0.46

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
SCHEMBL3968967 0.99 CYP4F2 (0.51) TDP1L3MBTL1PLA2G4BCYP4F2CYP4A11
SCHEMBL4568889 0.93 TDP1 (0.55) TDP1L3MBTL1PLA2G4BCYP4F2CYP4A11
SCHEMBL4568870 0.91 TDP1 (0.52) TDP1L3MBTL1PLA2G4BCYP4F2CYP4A11
SCHEMBL3968426 0.91 CYP4F2 (0.53) PLA2G4BCYP4F2CYP4A11PPARGPPARA
SCHEMBL4568879 0.89 PPARA (0.52) TDP1L3MBTL1PLA2G4BCYP4F2CYP4A11
SCHEMBL4568922 0.88 MAOB (0.51) TDP1L3MBTL1PLA2G4BTSHR
SCHEMBL4568925 0.87 MAOB (0.53) TDP1L3MBTL1PLA2G4BBCHETSHR
SCHEMBL4568882 0.86 PPARA (0.52) TDP1L3MBTL1PLA2G4BCYP4F2CYP4A11
SCHEMBL13596190 0.85 LTA4H (0.53) PLA2G4BCYP4F2CYP4A11CNR1CNR2
SCHEMBL17402430 0.85 TSHR (0.63) PLA2G4BCNR1CNR2PPARGPPARA

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
WO-2009045479-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2009-04-09 WO disclosed