SCHEMBL13664623

SCHEMBL13664623

C=CC(=O)OCOc1ccc(COc2ccc(OCc3ccc(OC)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
MAOB P27338 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PLA2G4B P0C869 1/20 0.39
APP P05067 4/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
AR P10275 1/20 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL13668005 0.94 MAOB (0.40) MAOBPPARD
SCHEMBL14588353 0.83 THRB (0.46) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL13664619 0.82 MTNR1B (0.41) FFAR1POLBSMN1; SMN2ALDH1A1MAPT
SCHEMBL14088578 0.82 THRB (0.45) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL13664622 0.82 LMNA (0.50) FFAR1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL13668006 0.80 LMNA (0.41) FFAR1SMN1; SMN2ALDH1A1HTTPPARD
SCHEMBL12154225 0.79 THRB (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL12731125 0.79 THRB (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL13668003 0.78 MAOB (0.36) FFAR1SMN1; SMN2ALDH1A1MAPTMAOB
SCHEMBL12110790 0.78 THRB (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7597945-B2 Optical compensation film; mixture of three (meth)acrylate monomers: e.g. 2,7-bis(acryloyloxyhexyloxy-1,4-phenylenecarbonyloxy)fluorene, a bis 2-fluoroacrylate monomer, and a cyanobiphenyloxyalkanol ester of (meth)acrylic acid; hardness, heat resistance, weatherability, colorless, LC physical properties CHISSO CORPORATION (JP) 2009-10-06 US disclosed