SCHEMBL10020183

SCHEMBL10020183

CCCCCc1ccc(CCc2ccc3c(c2F)C(F)(F)C(F)(F)c2c-3ccc(CCC)c2F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.37
ALOX5 P09917 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ELANE P08246 4/20 0.35
CTSG P08311 2/20 0.35
PTGS2 P35354 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
KCNH2 Q12809 1/20 0.31
BID P55957 3/20 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
SCHEMBL10019909 0.97 TYR (0.39) TYRALOX5MEN1TP53CYP3A4
SCHEMBL10020001 0.94 CTSL (0.40) TYRALOX5MEN1TP53CYP3A4
SCHEMBL10019833 0.90 EP300 (0.39) TP53CYP3A4PTGS2LIPGKCNH2
SCHEMBL10020023 0.87 S1PR1 (0.37) TYRALOX5MEN1TP53CYP3A4
SCHEMBL10019627 0.86 CTSL (0.38) TYRALOX5MEN1TP53CYP3A4
SCHEMBL10020138 0.86 CTSL (0.38) TYRALOX5MEN1TP53CYP3A4
SCHEMBL10020031 0.85 S1PR1 (0.40) LIPG
SCHEMBL10020004 0.84 TYR (0.34) TYRALOX5MEN1TP53CYP3A4
SCHEMBL10019981 0.84 RARB (0.43) MEN1TP53CYP3A4MAPTTSHR
SCHEMBL10019892 0.82 CTSL (0.33) CTSLCTSSCTSK

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