SCHEMBL14765941

SCHEMBL14765941

CCCCOc1ccc(C2CCC(C(=O)Oc3ccc(C4CCC(OCCCC)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
HPGD P15428 4/20 0.36
KDM1A O60341 2/20 0.34
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
HCRTR2 O43614 5/20 0.33
RAB9A P51151 1/20 0.33
TPH1 P17752 1/20 0.33
FAAH O00519 1/20 0.32
PPARG P37231 2/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL14766418 0.97 SCN9A (0.37) SCN9AHPGDKDM1APDE4APDE4B
SCHEMBL14766070 0.97 HPGD (0.39) SCN9AHPGDKDM1APDE4APDE4B
SCHEMBL14766346 0.94 HPGD (0.35) SCN9AHPGDKDM1APDE4APDE4B
SCHEMBL14766197 0.93 SCN9A (0.36) SCN9AHPGDKDM1APDE4APDE4B
SCHEMBL12737197 0.92 SCN9A (0.38) SCN9AHPGDKDM1APDE4APDE4B
SCHEMBL14766419 0.91 HPGD (0.42) HPGDKDM1APDE4APDE4BPDE4C
SCHEMBL14767123 0.91 SCN9A (0.38) SCN9AHPGDHCRTR2RAB9APPARA
SCHEMBL14766229 0.91 SCN9A (0.38) SCN9AHPGDHCRTR2RAB9APPARA
SCHEMBL14766721 0.90 SCN9A (0.39) SCN9AHPGDTHRATHRBHCRTR2
SCHEMBL14765674 0.89 KDM1A (0.41) SCN9AKDM1APDE4APDE4BPDE4C

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