SCHEMBL10020145

SCHEMBL10020145

CCCc1ccc(C(F)(F)Oc2ccc3c(c2F)C(F)(F)C(F)(F)c2c-3ccc(OCC)c2F)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
PDK2 Q15119 1/20 0.33
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
HCRTR1 O43613 4/20 0.31
HCRTR2 O43614 4/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
CALM1 P0DP23 2/20 0.31
FFAR1 O14842 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 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
SCHEMBL10019550 0.93 HCRTR1 (0.34) GABRA1GABRB2PDK2HCRTR1HCRTR2
SCHEMBL10020123 0.89 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL15257977 0.86 PDK2 (0.36) PDK2FFAR1
SCHEMBL10019897 0.85 HCRTR1 (0.32) HCRTR1HCRTR2
SCHEMBL10020168 0.84 GABRA1 (0.32) GABRA1GABRB2PDK2
SCHEMBL10019978 0.84 GABRA1 (0.37) GABRA1GABRB2PDK2CALM1
SCHEMBL10020180 0.84 PDK2 (0.33) PDK2
SCHEMBL10019904 0.84 PDK2 (0.33) PDK2
SCHEMBL15257976 0.84 S1PR1 (0.34) S1PR1
SCHEMBL10020093 0.83 HCRTR1 (0.35) GABRA1GABRB2PDK2CTSSCTSK

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