SCHEMBL10020004

SCHEMBL10020004

CCCCCc1ccc(-c2ccc3c(c2F)C(F)(F)C(F)(F)c2c-3ccc(CCC)c2F)cc1F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RARB P10826 3/20 0.34
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.31
ELANE P08246 1/20 0.30
CTSG P08311 1/20 0.30
SPHK2 Q9NRA0 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
SCHEMBL10019909 0.87 TYR (0.39) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL10020023 0.85 S1PR1 (0.37) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL10019981 0.85 RARB (0.43) MEN1TP53CYP3A4MAPTTSHR
SCHEMBL10019973 0.85 CTSL (0.30)
SCHEMBL10020001 0.84 CTSL (0.40) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL19622085 0.84 RARB (0.31) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL10020183 0.84 TYR (0.37) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL10020031 0.84 S1PR1 (0.40) RARBRARARARGSPHK2
SCHEMBL10019626 0.82 CNR2 (0.38) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL10019992 0.81 GABRA1 (0.38) ALOX5

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