SCHEMBL10020138

SCHEMBL10020138

CCCCCc1ccc(COc2ccc3c(c2F)C(F)(F)C(F)(F)c2c-3ccc(CCC)c2F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ALOX5 P09917 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
TYR P14679 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ELANE P08246 3/20 0.32
PTGS2 P35354 1/20 0.32
CNR2 P34972 2/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL10019627 0.98 CTSL (0.38) CTSLCTSSCTSKALOX5TSHR
SCHEMBL10019658 0.90 CTSL (0.39) CTSLCTSSCTSKFFAR4
SCHEMBL10020131 0.89 CTSL (0.40) CTSLCTSSCTSKFFAR4
SCHEMBL10019937 0.88 SMPD1 (0.38) CTSLCTSSCTSKTP53CYP3A4
SCHEMBL10020153 0.87 S1PR1 (0.35) CTSLCTSSCTSKMEN1MAPT
SCHEMBL10020157 0.87 RXRG (0.36) CTSLCTSSCTSKALOX5TSHR
SCHEMBL10020183 0.86 TYR (0.37) CTSLCTSSCTSKALOX5TSHR
SCHEMBL10019909 0.86 TYR (0.39) CTSLCTSSCTSKALOX5TSHR
SCHEMBL10020027 0.85 HTT (0.34) CTSLCTSSCTSKMEN1MAPT
SCHEMBL10020155 0.85 CTSL (0.38) 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