SCHEMBL14766292

SCHEMBL14766292

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.33
▸ SLC10A2 Q12908 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ TLR4 O00206 1/20 0.30
▸ TLR2 O60603 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
SCHEMBL14766651 0.97 PPARG (0.31) PPARGSLC10A2CRBN
SCHEMBL14765687 0.95 PPARG (0.32) PPARGSLC10A2CRBN
SCHEMBL14766789 0.94 CRBN (0.34) PPARGCRBNTLR4TLR2
SCHEMBL14765725 0.92 PPARG (0.31) PPARGCRBN
SCHEMBL14766546 0.92 TLR4 (0.34) PPARGCRBNTLR4TLR2
SCHEMBL14766772 0.92 CRBN (0.32) PPARGCRBNTLR4TLR2
SCHEMBL14766540 0.91 — —
SCHEMBL12739134 0.89 ALDH1A1 (0.31) —
SCHEMBL14765832 0.89 CRBN (0.33) PPARGCRBNTLR4TLR2
SCHEMBL14766364 0.89 HDAC8 (0.33) SLC10A2CRBN

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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