SCHEMBL10020005

SCHEMBL10020005

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.33
NAAA Q02083 1/20 0.32
GABRA1 P14867 3/20 0.32
GABRB2 P47870 3/20 0.32
KDM1A O60341 2/20 0.32
CALM1 P0DP23 2/20 0.31
ABCG2 Q9UNQ0 1/20 0.30
FFAR1 O14842 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
LMNA P02545 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
SCHEMBL10020102 0.94 PKM (0.36) PKMNAAAGABRA1GABRB2CALM1
SCHEMBL10020014 0.91 CTSL (0.33)
SCHEMBL10020020 0.89 GABRA1 (0.36) PKMNAAAGABRA1GABRB2KDM1A
SCHEMBL10020103 0.88 CTSL (0.33)
SCHEMBL10020161 0.88 RXRG (0.36) PKMNAAAGABRA1GABRB2FFAR1
SCHEMBL10020007 0.88 FFAR4 (0.32) GABRA1GABRB2FFAR1
SCHEMBL10019664 0.88 PKM (0.32) PKM
SCHEMBL10019967 0.87 CALM1 (0.33) GABRA1GABRB2KDM1ACALM1LMNA
SCHEMBL10020191 0.87 PKM (0.33) PKM
SCHEMBL10019835 0.86 GABRA1 (0.33) GABRA1GABRB2CALM1LMNA

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