SCHEMBL10020154

SCHEMBL10020154

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
NAAA Q02083 1/20 0.36
PKM P14618 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
CALM1 P0DP23 3/20 0.34
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
MAPK1 P28482 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
KMT2A Q03164 3/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL10020020 0.93 GABRA1 (0.36) GABRA1GABRB2NAAAPKMS1PR1
SCHEMBL10020139 0.91 RXRG (0.39) GABRA1GABRB2NAAACALM1RXRG
SCHEMBL10020033 0.91 GABRA1 (0.38) GABRA1GABRB2NAAACALM1SMN1; SMN2
SCHEMBL10019991 0.90 GABRA1 (0.37) GABRA1GABRB2CALM1SMN1; SMN2ALDH1A1
SCHEMBL10020102 0.88 PKM (0.36) GABRA1GABRB2NAAAPKMCALM1
SCHEMBL10020037 0.88 GABRA1 (0.37) GABRA1GABRB2NAAACALM1SMN1; SMN2
SCHEMBL10020116 0.87 S1PR1 (0.35) S1PR1S1PR5RAB9ASMN1; SMN2NPC1
SCHEMBL10019938 0.86 KDM1A (0.35) GABRA1GABRB2CALM1RAB9ASMN1; SMN2
SCHEMBL10020156 0.85 CACNA1C (0.39) NAAAPKMALDH1A1KMT2AMAPT
SCHEMBL10020159 0.84 CTSL (0.40) GABRA1GABRB2NAAAPKM

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