SCHEMBL14766016

SCHEMBL14766016

C=CCCOc1ccc(C2CCC(C(=O)Oc3ccc(C4CCC(OCCCC)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.35
CRBN Q96SW2 1/20 0.35
HPGD P15428 4/20 0.33
PPARD Q03181 4/20 0.32
ACACB O00763 1/20 0.32
FAAH O00519 1/20 0.32
SLC10A2 Q12908 1/20 0.32
PPARG P37231 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PPARA Q07869 1/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
HCRTR2 O43614 1/20 0.31
GPR119 Q8TDV5 2/20 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
SCHEMBL14766278 0.97 CRBN (0.35) SCN9ACRBNHPGDPPARDFAAH
SCHEMBL14767247 0.96 FAAH (0.35) SCN9ACRBNHPGDPPARDACACB
SCHEMBL14766421 0.94 HPGD (0.35) SCN9ACRBNHPGDPPARDACACB
SCHEMBL14766978 0.93 FAAH (0.36) SCN9ACRBNHPGDPPARDFAAH
SCHEMBL14765944 0.93 CRBN (0.38) SCN9ACRBNHPGDPPARDACACB
SCHEMBL14766474 0.92 SCN9A (0.36) SCN9AHPGDACACBNPC1ALDH1A1
SCHEMBL14767053 0.92 SCN9A (0.36) SCN9AHPGDACACBNPC1ALDH1A1
SCHEMBL14767149 0.91 SCN9A (0.37) SCN9ACRBNHPGDACACBFAAH
SCHEMBL14766744 0.91 CRBN (0.38) SCN9ACRBNHPGDPPARDACACB
SCHEMBL14766064 0.91 PPARD (0.37) SCN9ACRBNHPGDPPARDFAAH

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