SCHEMBL10020113

SCHEMBL10020113

C=CCCc1ccc(COc2ccc3c(c2F)C(F)(F)C(F)(F)c2c-3ccc(OCC)c2F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.36
GABRA1 P14867 3/20 0.33
GABRB2 P47870 3/20 0.33
CALM1 P0DP23 1/20 0.32
PTGER1 P34995 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
XBP1 P17861 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
RXRG P48443 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
SCHEMBL10020015 0.94 PKM (0.33) PKMGABRA1GABRB2CALM1
SCHEMBL10020117 0.92 CTSL (0.33)
SCHEMBL10020187 0.92 RXRG (0.36) PKMGABRA1GABRB2KDM4EALDH1A1
SCHEMBL10020021 0.92 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL10019987 0.91 GABRA1 (0.32) GABRA1GABRB2CALM1LMNA
SCHEMBL10020032 0.89 GABRA1 (0.32) GABRA1GABRB2CALM1
SCHEMBL10020098 0.88 GABRA1 (0.38) PKMGABRA1GABRB2CALM1PTGER1
SCHEMBL10019935 0.87 GAA (0.35) PKMGABRA1GABRB2CALM1KDM4E
SCHEMBL10020189 0.86 PKM (0.33) PKM
SCHEMBL10020008 0.86 FFAR4 (0.32) GABRA1GABRB2

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