SCHEMBL14766546

SCHEMBL14766546

CCCCOc1ccc(/C=C/C2CCC(c3ccc(C4CCC(OCCC)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 1/20 0.34
▸ TLR2 O60603 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ PPARG P37231 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ SCN9A Q15858 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
SCHEMBL14766789 0.97 CRBN (0.34) TLR4TLR2CRBNPPARGSCN9A
SCHEMBL14765847 0.94 TLR4 (0.33) TLR4TLR2CRBNPPARGNPC1
SCHEMBL14766772 0.94 CRBN (0.32) TLR4TLR2CRBNPPARGNPC1
SCHEMBL14766292 0.92 PPARG (0.33) TLR4TLR2CRBNPPARG
SCHEMBL14765832 0.91 CRBN (0.33) TLR4TLR2CRBNPPARGSCN9A
SCHEMBL14766651 0.91 PPARG (0.31) CRBNPPARGSCN9A
SCHEMBL12739117 0.89 CRBN (0.35) TLR4TLR2CRBNRAB9AACACB
SCHEMBL14766092 0.89 CRBN (0.31) CRBNNPC1RAB9A
SCHEMBL14766477 0.88 KDM4E (0.31) NPC1RAB9AACACB
SCHEMBL12739119 0.87 CRBN (0.34) TLR4TLR2CRBNRAB9ASCN9A

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
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