SCHEMBL10020163

SCHEMBL10020163

CCOc1ccc(C(F)(F)Oc2ccc3c(c2F)C(F)C(F)c2c-3ccc(OCC)c2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
HCRTR1 O43613 8/20 0.35
HCRTR2 O43614 8/20 0.35
NQO1 P15559 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP2D6 P10635 1/20 0.34
KIF11 P52732 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
MAOB P27338 1/20 0.32
PDK2 Q15119 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.31
PPARD Q03181 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
SCHEMBL10020132 0.87 HCRTR1 (0.34) HCRTR1HCRTR2CYP1A2CYP2C19CYP2C9
SCHEMBL10020152 0.86 KDM1A (0.38) L3MBTL1LMNAMAPTATMHCRTR1
SCHEMBL19622010 0.86 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL10019915 0.85 HCRTR1 (0.36) L3MBTL1LMNAMAPTATMHCRTR1
SCHEMBL10020151 0.83 HCRTR1 (0.35) L3MBTL1LMNAMAPTATMHCRTR1
SCHEMBL10020184 0.83 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL10019905 0.83 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL10020150 0.83 HCRTR1 (0.32) L3MBTL1LMNAMAPTATMHCRTR1
SCHEMBL10020148 0.82 HCRTR1 (0.32) HCRTR1HCRTR2CYP2D6
SCHEMBL10019948 0.81 NQO1 (0.38) L3MBTL1LMNAMAPTATMHCRTR1

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