SCHEMBL10019964

SCHEMBL10019964

CCCCOc1ccc(-c2ccc3c(c2F)C(F)(F)C(F)(F)c2c-3ccc(OCC)c2F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.36
L3MBTL1 Q9Y468 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE2A O00408 5/20 0.34
MCL1 Q07820 1/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL10020000 0.87 L3MBTL1 (0.38) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL16855940 0.87 L3MBTL1 (0.42) PDK2L3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL10019908 0.86 L3MBTL1 (0.41) PDK2L3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL10019990 0.85 CYP2D6 (0.40) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL19622052 0.85 PTGDR2 (0.35) PDK2L3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL16855932 0.83 L3MBTL1 (0.41) PDK2L3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL10019998 0.82 L3MBTL1 (0.38) L3MBTL1FFAR4MCL1S1PR1S1PR3
SCHEMBL16855943 0.82 L3MBTL1 (0.42) PDK2L3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL16855948 0.82 FFAR1 (0.40) PDK2L3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL10020181 0.82 CACNA1C (0.39) PDK2FFAR1ALDH1A1GAAMAPT

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