SCHEMBL10019940

SCHEMBL10019940

CCOc1ccc2c(c1F)C(F)C(F)c1c-2ccc(OCC2CCC(OCC)CC2)c1F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
RIPK1 Q13546 1/20 0.35
LRRK2 Q5S007 2/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
ACACB O00763 5/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
SSTR5 P35346 1/20 0.32
KCNH2 Q12809 1/20 0.32
BRD4 O60885 1/20 0.31
KDM1A O60341 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
SCHEMBL10019934 0.88 RIPK1 (0.37) HTR2AHTR2CHTR2BRIPK1PTGDR2
SCHEMBL10019840 0.85 NAAA (0.31)
SCHEMBL10019795 0.84 NAAA (0.40) ACACBKDM1A
SCHEMBL10019947 0.82 RIPK1 (0.34) HTR2AHTR2CHTR2BRIPK1PTGDR2
SCHEMBL14767045 0.82 HTR2A (0.36) HTR2AHTR2CHTR2BLRRK2ALOX5AP
SCHEMBL14766047 0.82 HTR2A (0.36) HTR2AHTR2CHTR2BLRRK2ALOX5AP
SCHEMBL10019936 0.81 LRRK2 (0.33) HTR2AHTR2CHTR2BRIPK1LRRK2
SCHEMBL10020134 0.81 HCRTR1 (0.32)
SCHEMBL10019588 0.81 FGFR2 (0.31)
SCHEMBL9924981 0.81 HTR2C (0.37) HTR2AHTR2CHTR2BRIPK1LRRK2

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