SCHEMBL14767307

SCHEMBL14767307

C=CCCOc1ccc(OC(=O)C2CCC(c3ccc(C4CCC(OCC)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.34
SCN9A Q15858 1/20 0.34
HCRTR2 O43614 3/20 0.33
ACACB O00763 2/20 0.31
FFAR1 O14842 2/20 0.31
PPARD Q03181 2/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL14767149 0.95 SCN9A (0.37) HPGDSCN9AHCRTR2ACACB
SCHEMBL14767172 0.94 HPGD (0.35) HPGDSCN9AHCRTR2ACACBFFAR1
SCHEMBL14767239 0.92 SCN9A (0.36) HPGDSCN9AHCRTR2FFAR1PPARD
SCHEMBL14767260 0.92 POLB (0.35) HPGDHCRTR2FFAR1PPARDPOLB
SCHEMBL14766421 0.91 HPGD (0.35) HPGDSCN9AHCRTR2ACACBPPARD
SCHEMBL12742137 0.91 SCN9A (0.33) HPGDSCN9AFFAR1PPARDPOLB
SCHEMBL14767264 0.90 HPGD (0.39) HPGDSCN9AHCRTR2ACACBFFAR1
SCHEMBL14765987 0.90 HPGD (0.36) HPGDSCN9AHCRTR2ACACBPOLB
SCHEMBL14766757 0.89 HPGD (0.37) HPGDSCN9AHCRTR2ACACBRAB9A
SCHEMBL14766729 0.89 HPGD (0.37) HPGDSCN9AHCRTR2ACACBRAB9A

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed