SCHEMBL10020003

SCHEMBL10020003

CCCc1ccc(OCc2ccc3c(c2F)C(F)(F)C(F)(F)c2c-3ccc(OCC)c2F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.36
GABRB2 P47870 3/20 0.36
CALM1 P0DP23 2/20 0.33
KDM1A O60341 2/20 0.32
PKM P14618 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
NAAA Q02083 1/20 0.31
FFAR1 O14842 2/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR5 Q9H228 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALOX5 P09917 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
SCHEMBL10020098 0.93 GABRA1 (0.38) GABRA1GABRB2CALM1PKMNAAA
SCHEMBL10020019 0.89 GABRA1 (0.38) GABRA1GABRB2CALM1SMN1; SMN2ALOX5
SCHEMBL10020015 0.89 PKM (0.33) GABRA1GABRB2CALM1PKMFFAR1
SCHEMBL10020028 0.89 CALM1 (0.36) GABRA1GABRB2CALM1KDM1ANAAA
SCHEMBL10020137 0.87 RXRG (0.39) GABRA1GABRB2CALM1FFAR1PPARG
SCHEMBL10020006 0.87 FFAR4 (0.35) GABRA1GABRB2FFAR1
SCHEMBL10019658 0.86 CTSL (0.39) GABRA1GABRB2PKM
SCHEMBL10020136 0.86 MRGPRX4 (0.39) KDM1AFFAR1PPARGPPARDPPARA
SCHEMBL10020027 0.86 HTT (0.34) S1PR1NPC1SMN1; SMN2
SCHEMBL10019621 0.86 PKM (0.34) 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