SCHEMBL10020131

SCHEMBL10020131

CCCc1ccc(COc2ccc3c(c2F)C(F)(F)C(F)(F)c2c-3ccc(OCC)c2F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
FFAR4 Q5NUL3 1/20 0.31
PKM P14618 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL10019658 0.99 CTSL (0.39) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL10020119 0.93 PKM (0.34) CTSLCTSSCTSKPKM
SCHEMBL10020109 0.92 CTSL (0.41) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL10019549 0.92 CTSL (0.40) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL10019997 0.91 CTSS (0.46) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL10019621 0.91 PKM (0.34) PKM
SCHEMBL10020138 0.89 CTSL (0.38) CTSLCTSSCTSKFFAR4
SCHEMBL10019627 0.89 CTSL (0.38) CTSLCTSSCTSKFFAR4
SCHEMBL10020112 0.88 CTSL (0.36) CTSLCTSSCTSK
SCHEMBL10020189 0.87 PKM (0.33) CTSLCTSSCTSKPKM

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