SCHEMBL10019967

SCHEMBL10019967

C=CCCc1ccc(-c2ccc3c(c2F)C(F)C(F)c2c-3ccc(OCC)c2F)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 3/20 0.33
GABRA1 P14867 3/20 0.32
GABRB2 P47870 3/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP3A4 P08684 2/20 0.31
MAPK1 P28482 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP1A2 P05177 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
DRD1 P21728 1/20 0.31
TBXA2R P21731 1/20 0.31
PDE4A P27815 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
SCHEMBL10020102 0.91 PKM (0.36) CALM1GABRA1GABRB2LMNAMEN1
SCHEMBL10019991 0.88 GABRA1 (0.37) CALM1GABRA1GABRB2LMNAMEN1
SCHEMBL10020005 0.87 PKM (0.33) CALM1GABRA1GABRB2LMNAKDM1A
SCHEMBL10019966 0.87 FFAR4 (0.36) GABRA1GABRB2LMNAMEN1KMT2A
SCHEMBL10020094 0.86 HCRTR1 (0.33) GABRA1GABRB2MEN1KMT2AALDH1A1
SCHEMBL10019939 0.85 GAA (0.35) GABRA1GABRB2LMNAMEN1KMT2A
SCHEMBL10019552 0.85 HCRTR1 (0.35) GABRA1GABRB2MEN1KMT2AALDH1A1
SCHEMBL10019877 0.85 NPC1 (0.32) GABRA1GABRB2LMNAMEN1KMT2A
SCHEMBL10019657 0.84 NPC1 (0.32) GABRA1GABRB2LMNAMEN1KMT2A
SCHEMBL10020161 0.84 RXRG (0.36) GABRA1GABRB2LMNAMEN1KMT2A

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