SCHEMBL10020152

SCHEMBL10020152

CCOc1ccc(C(F)(F)Oc2ccc3c(c2F)C(F)C(F)c2c-3ccc(OCC)c2F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
HCRTR1 O43613 7/20 0.34
HCRTR2 O43614 7/20 0.34
TUBB1 Q9H4B7 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
FGFR2 P21802 1/20 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
NAAA Q02083 1/20 0.31
PTGS2 P35354 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 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
SCHEMBL10020150 0.89 HCRTR1 (0.32) HCRTR1HCRTR2CYP1A2CYP2C9CYP2C19
SCHEMBL10020163 0.86 L3MBTL1 (0.40) HCRTR1HCRTR2CYP1A2CYP2C9CYP2C19
SCHEMBL10020178 0.84 HCRTR1 (0.30) HCRTR1HCRTR2
SCHEMBL10020132 0.83 HCRTR1 (0.34) HCRTR1HCRTR2CYP1A2CYP2C9CYP2C19
SCHEMBL19622010 0.82 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL10020184 0.82 HCRTR1 (0.33) KDM1AHCRTR1HCRTR2FGFR2
SCHEMBL10019905 0.82 HCRTR1 (0.33) KDM1AHCRTR1HCRTR2FGFR2
SCHEMBL10019564 0.81 KDM1A (0.35) KDM1AHCRTR1HCRTR2FGFR2PIM1
SCHEMBL15257981 0.81 KDM1A (0.35) KDM1AHCRTR1HCRTR2TUBB1CYP1A2
SCHEMBL10020151 0.80 HCRTR1 (0.35) KDM1AHCRTR1HCRTR2FGFR2L3MBTL1

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