SCHEMBL7367359

SCHEMBL7367359

OCCCCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.87

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.87
EPHX2 P34913 1/20 0.87
MGLL Q99685 2/20 0.62
BCHE P06276 4/20 0.61
FFAR1 O14842 1/20 0.59
FFAR4 Q5NUL3 1/20 0.59
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
PTGS1 P23219 1/20 0.58
SLC6A2 P23975 1/20 0.58
CYP2C19 P33261 1/20 0.58
PTGS2 P35354 1/20 0.58
SLC6A3 Q01959 1/20 0.58
HIF1A Q16665 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
ALOX5 P09917 1/20 0.55
MAOB P27338 1/20 0.53
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53

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
SCHEMBL9254006 1.00 LTA4H (0.87) LTA4HEPHX2MGLLBCHEFFAR1
SCHEMBL10405807 1.00 LTA4H (0.87) LTA4HEPHX2MGLLBCHEFFAR1
SCHEMBL8888466 1.00 LTA4H (0.87) LTA4HEPHX2MGLLBCHEFFAR1
SCHEMBL5760428 0.98 LTA4H (0.90) LTA4HEPHX2MGLLBCHEFFAR1
SCHEMBL1563277 0.93 LTA4H (1.00) LTA4HEPHX2MGLLBCHEFFAR1
SCHEMBL11687518 0.92 LTA4H (0.97) LTA4HEPHX2MGLLBCHEFFAR1
SCHEMBL12040562 0.91 LTA4H (0.77) LTA4HEPHX2MGLLBCHEFFAR1
SCHEMBL12630258 0.91 LTA4H (0.77) LTA4HEPHX2MGLLBCHEFFAR1
SCHEMBL14300868 0.89 LTA4H (0.90) LTA4HEPHX2MGLLBCHEFFAR1
SCHEMBL16705571 0.86 LTA4H (0.70) LTA4HEPHX2MGLLLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385693-A Having rapid response and low phase transition temperature SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0625981-A1 AZABICYCLO COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-11-30 EP disclosed
EP-0357372-B1 Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL CO (JP) 1994-11-17 EP disclosed
US-5264151-A Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-23 US disclosed
WO-1993015080-A1 AZABICYCLO COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-08-05 WO disclosed
US-5124070-A High speed response SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-23 US disclosed
EP-0357372-A2 Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-03-07 EP disclosed