SCHEMBL14767252

SCHEMBL14767252

CCCCOc1ccc(C(=O)OC2CCC(c3ccc(C4CCC(OCCC)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ SCN9A Q15858 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PDE4D Q08499 1/20 0.34
▸ KCNQ3 O43525 1/20 0.34
▸ KCNQ2 O43526 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ NTSR1 P30989 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PLA2G2A P14555 1/20 0.33

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
SCHEMBL14766653 0.97 THRA (0.41) THRATHRBSCN9AALDH1A1HTT
SCHEMBL14767301 0.94 THRA (0.39) THRATHRBSCN9AALDH1A1HTT
SCHEMBL12741135 0.91 THRA (0.41) THRATHRBSCN9AALDH1A1HTT
SCHEMBL14767022 0.91 THRA (0.38) THRATHRBSCN9AALDH1A1HTT
SCHEMBL14766823 0.90 SCN9A (0.38) THRATHRBSCN9AALDH1A1HTT
SCHEMBL14767210 0.89 KCNQ3 (0.41) THRATHRBKMT2APDE4DKCNQ3
SCHEMBL12741138 0.89 THRA (0.45) THRATHRBSCN9AALDH1A1HTT
SCHEMBL14767068 0.88 THRA (0.36) THRATHRBSCN9AFAAHPPARD
SCHEMBL12741149 0.88 THRA (0.47) THRATHRBSCN9AALDH1A1PLA2G2A
SCHEMBL12741143 0.88 THRA (0.47) THRATHRBSCN9AALDH1A1PLA2G2A

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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