SCHEMBL10020114

SCHEMBL10020114

CCCc1ccc(CCc2ccc3c(c2F)C(F)C(F)c2c-3ccc(OCC)c2F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
KDM1A O60341 2/20 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
SCHEMBL10019899 0.97 CTSL (0.40) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL10020185 0.96 CTSL (0.36) CTSLCTSSCTSKKDM1A
SCHEMBL10019631 0.94 CTSL (0.39) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL10019980 0.93 CTSS (0.46) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL10020159 0.92 CTSL (0.40) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL10019849 0.91 GABRA1 (0.36) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL10020037 0.88 GABRA1 (0.37) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL10020033 0.87 GABRA1 (0.38) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL10020128 0.86 CTSL (0.33) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL15257996 0.86 CTSS (0.36) CTSLCTSSCTSKGABRA1GABRB2

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