SCHEMBL4413674

SCHEMBL4413674

CCCOc1cc(OCCC)c(-c2cc(F)c(C(F)(F)Oc3ccc(C(F)(F)F)cc3)c(F)c2)c(OCCC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.34
PPARD Q03181 6/20 0.34
PPARG P37231 3/20 0.34
PPARA Q07869 3/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
PDE2A O00408 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
FFAR1 O14842 1/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL4422884 0.87 FFAR1 (0.32) FFAR1PTPN7DUSP3
SCHEMBL4415939 0.85 FFAR1 (0.32) FFAR1
SCHEMBL13673199 0.83 ERN1 (0.33) CYP1A1CYP1B1FFAR1
SCHEMBL4413888 0.81 RARA (0.33) PPARDFFAR1
SCHEMBL4552185 0.81 ALDH1A1 (0.32) FFAR1
SCHEMBL13865611 0.80 RARA (0.32)
SCHEMBL91835 0.79 RARA (0.36) CYP1A1CYP1B1L3MBTL1FFAR1PTPN7
SCHEMBL4421577 0.77 PLA2G2A (0.33)
SCHEMBL13865551 0.76 FFAR1 (0.34) L3MBTL1FFAR1
SCHEMBL18965020 0.76 FFAR1 (0.32) FFAR1

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-1658351-B1 MESOGENIC COMPOUNDS, MEDIUM FOR ELECTRO-OPTICAL DISPLAYS AND ELECTRO-OPTICAL DISPLAY MERCK PATENT GMBH (DE) 2009-10-28 EP disclosed
EP-1658351-B1 MESOGENIC COMPOUNDS, MEDIUM FOR ELECTRO-OPTICAL DISPLAYS AND ELECTRO-OPTICAL DISPLAY MERCK PATENT GMBH (DE) 2009-10-28 EP disclosed
US-7531106-B2 Mesogenic compounds, medium for electro-optical displays and electro-optical display MERCK PATENT GMBH (DE) 2009-05-12 US disclosed
US-7531106-B2 Mesogenic compounds, medium for electro-optical displays and electro-optical display MERCK PATENT GMBH (DE) 2009-05-12 US disclosed
US-20060286308-A1 Mesogenic compounds, medium for electro-optical displays and electro-optical display MERCK PATENT GMBH (DE) 2006-12-21 US disclosed