SCHEMBL14767153

SCHEMBL14767153

C=CCCCOc1ccc(OC(=O)C2CCC(c3ccc(C4CCC(OCCCC)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.35
SCN9A Q15858 1/20 0.35
HCRTR2 O43614 1/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LSS P48449 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 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
SCHEMBL14765999 1.00 HPGD (0.35) HPGDSCN9AHCRTR2ALDH1A1L3MBTL1
SCHEMBL14767053 0.97 SCN9A (0.36) HPGDSCN9AHCRTR2ALDH1A1LSS
SCHEMBL14766474 0.97 SCN9A (0.36) HPGDSCN9AHCRTR2ALDH1A1LSS
SCHEMBL14766229 0.93 SCN9A (0.38) HPGDSCN9AHCRTR2ALDH1A1L3MBTL1
SCHEMBL14767123 0.93 SCN9A (0.38) HPGDSCN9AHCRTR2ALDH1A1L3MBTL1
SCHEMBL14766346 0.92 HPGD (0.35) HPGDSCN9AHCRTR2TSHR
SCHEMBL14766278 0.91 CRBN (0.35) HPGDSCN9AHCRTR2ALDH1A1L3MBTL1
SCHEMBL14766757 0.91 HPGD (0.37) HPGDSCN9AHCRTR2L3MBTL1RAB9A
SCHEMBL14766729 0.91 HPGD (0.37) HPGDSCN9AHCRTR2L3MBTL1RAB9A
SCHEMBL14766978 0.90 FAAH (0.36) HPGDSCN9AALDH1A1L3MBTL1NPC1

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