SCHEMBL10019903

SCHEMBL10019903

CCOc1ccc(OC(F)(F)c2ccc3c(c2F)C(F)(F)C(F)(F)c2c-3ccc(OCC)c2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.34
NQO1 P15559 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
PDK2 Q15119 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BRD4 O60885 1/20 0.32
HCRTR1 O43613 4/20 0.31
HCRTR2 O43614 4/20 0.31

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
SCHEMBL10019904 0.91 PDK2 (0.33) PDK2
SCHEMBL10019897 0.90 HCRTR1 (0.32) HCRTR1HCRTR2
SCHEMBL10019563 0.90 PDK2 (0.36) L3MBTL1LMNAMAPTATMPDK2
SCHEMBL10019568 0.90 KDM1A (0.33) PDK2BRD4
SCHEMBL10020180 0.89 PDK2 (0.33) PDK2
SCHEMBL15257977 0.86 PDK2 (0.36) L3MBTL1LMNAMAPTATMPDK2
SCHEMBL15257992 0.86 HCRTR1 (0.30) HCRTR1HCRTR2
SCHEMBL15257982 0.85 L3MBTL1 (0.40) L3MBTL1NQO1LMNAMAPTATM
SCHEMBL10019567 0.85 GABRA1 (0.30)
SCHEMBL10019902 0.83 CTSS (0.36)

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