SCHEMBL10019563

SCHEMBL10019563

CCOc1ccc(OC(F)(F)c2ccc3c(c2F)C(F)(F)C(F)(F)c2c-3ccc(OCC)c2F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.36
FFAR1 O14842 6/20 0.34
PPARD Q03181 4/20 0.34
PTGS2 P35354 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
APOBEC3A P31941 1/20 0.31
HTT P42858 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
PTGS1 P23219 1/20 0.31
KDM1A O60341 2/20 0.30
HCRTR1 O43613 2/20 0.30
HCRTR2 O43614 2/20 0.30
CACNA1C Q13936 1/20 0.30
FGFR2 P21802 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
SCHEMBL10019568 0.93 KDM1A (0.33) PDK2FFAR1PPARDPTGS2PTGS1
SCHEMBL15257977 0.92 PDK2 (0.36) PDK2FFAR1PPARDPTGS2L3MBTL1
SCHEMBL10019903 0.90 L3MBTL1 (0.34) PDK2L3MBTL1LMNAMAPTATM
SCHEMBL10019904 0.88 PDK2 (0.33) PDK2PTGS2PTGS1FGFR2
SCHEMBL10019567 0.86 GABRA1 (0.30)
SCHEMBL10019550 0.86 HCRTR1 (0.34) PDK2HCRTR1HCRTR2
SCHEMBL10020180 0.86 PDK2 (0.33) PDK2PTGS2PTGS1FGFR2
SCHEMBL10020147 0.86 PDK2 (0.35) PDK2FFAR1PPARDL3MBTL1LMNA
SCHEMBL10019897 0.83 HCRTR1 (0.32) HCRTR1HCRTR2
SCHEMBL15257989 0.82

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