SCHEMBL10020187

SCHEMBL10020187

C=CCCc1ccc(COc2ccc3c(c2F)C(F)(F)C(F)(F)c2c-3ccc(OCC)c2F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRG P48443 2/20 0.36
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
FFAR1 O14842 3/20 0.33
PPARD Q03181 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
GABRA1 P14867 3/20 0.33
GABRB2 P47870 3/20 0.33
PKM P14618 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
GAA P10253 2/20 0.32
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TACR2 P21452 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PLA2G1B P04054 1/20 0.31
MAPT P10636 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31

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
SCHEMBL10020122 0.92 RXRG (0.35) RXRGRXRARXRBFFAR1
SCHEMBL10020113 0.92 PKM (0.36) RXRGGABRA1GABRB2PKMLMNA
SCHEMBL10020032 0.91 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL10020021 0.90 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL10020137 0.88 RXRG (0.39) RXRGRXRARXRBFFAR1PPARD
SCHEMBL10020015 0.88 PKM (0.33) FFAR1PPARDPPARGPPARAGABRA1
SCHEMBL10019935 0.87 GAA (0.35) FFAR1GABRA1GABRB2PKMMRGPRX4
SCHEMBL10019660 0.87 FFAR1 (0.35) FFAR1PPARDPKMHDAC6
SCHEMBL10019977 0.87 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL10020189 0.86 PKM (0.33) PKM

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