SCHEMBL10020181

SCHEMBL10020181

CCOc1ccc(COc2ccc3c(c2F)C(F)(F)C(F)(F)c2c-3ccc(OCC)c2F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.39
PKM P14618 1/20 0.37
FFAR1 O14842 7/20 0.36
PPARD Q03181 4/20 0.36
PTGER1 P34995 2/20 0.35
MAOB P27338 2/20 0.34
PTGS2 P35354 2/20 0.34
NAAA Q02083 1/20 0.33
APOBEC3A P31941 1/20 0.33
HTT P42858 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
PDK2 Q15119 1/20 0.33
PTGS1 P23219 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PLA2G1B P04054 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32

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
SCHEMBL10020017 0.93 FFAR1 (0.39) CACNA1CPKMFFAR1PPARDNAAA
SCHEMBL10020026 0.90 CACNA1C (0.34) CACNA1CFFAR1PPARDPTGS2APOBEC3A
SCHEMBL10019684 0.89 FFAR1 (0.40) CACNA1CFFAR1PPARDNAAA
SCHEMBL10019620 0.89 CACNA1C (0.36) CACNA1CFFAR1PPARDMAOB
SCHEMBL10020013 0.86 CACNA1C (0.39) CACNA1CPKMFFAR1PPARDMAOB
SCHEMBL10019621 0.86 PKM (0.34) PKMPTGER1PDK2
SCHEMBL10020119 0.86 PKM (0.34) PKMPTGER1PDK2
SCHEMBL10020098 0.85 GABRA1 (0.38) PKMPTGER1PTGS2NAAAPTGS1
SCHEMBL10019660 0.84 FFAR1 (0.35) CACNA1CPKMFFAR1PPARDMAOB
SCHEMBL10020137 0.82 RXRG (0.39) FFAR1PPARDHTTKDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2669263-B1 COMPOUND CONTAINING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2017-11-22 EP disclosed
US-9193908-B2 Compound having dihydrophenanthrene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-11-24 US disclosed
US-9193908-B2 Compound having dihydrophenanthrene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-11-24 US disclosed
US-20130240784-A1 COMPOUND HAVING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-09-19 US disclosed
US-20130240784-A1 COMPOUND HAVING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-09-19 US disclosed
WO-2012086437-A1 COMPOUND CONTAINING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY JNC株式会社 (JP) 2012-06-28 WO disclosed