SCHEMBL13408557

SCHEMBL13408557

CC1CCC(c2ccc(C(=O)Oc3cc(F)c(F)c(F)c3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.43
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
FASN P49327 1/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C9 P11712 2/20 0.35
MAOB P27338 1/20 0.35
CCR2 P41597 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PARP10 Q53GL7 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL20083408 0.87 MRGPRX4 (0.36) ALDH1A1MAPTSMN1; SMN2KMT2ACYP2C9
SCHEMBL15929949 0.87 ESR2 (0.38) ESR2ALDH1A1MAPTSMN1; SMN2TAS1R3
SCHEMBL8635849 0.86 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2KMT2ACYP2C9
SCHEMBL8027355 0.86 CYP2C9 (0.43) ESR2ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL12566105 0.86 CYP2C9 (0.43) ESR2ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL14502621 0.86 SLC6A3 (0.41) ESR2ALDH1A1MAPTSMN1; SMN2FASN
SCHEMBL13671359 0.85 ESR2 (0.38) ESR2ALDH1A1FASNHPGDTSHR
SCHEMBL14337205 0.85 ESR2 (0.38) ESR2ALDH1A1FASNHPGDTSHR
SCHEMBL18635922 0.84 ESR2 (0.51) ESR2ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL8025496 0.84 CYP2C9 (0.56) ESR2ALDH1A1MAPTSMN1; SMN2KMT2A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2653522-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2017-11-22 EP disclosed
EP-2806010-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DAINIPPON INK & CHEMICALS (JP) 2017-07-26 EP disclosed
US-9487705-B2 Liquid crystal composition and liquid crystal display device using the same DIC CORPORATION (JP) 2016-11-08 US disclosed
US-20160215217-A1 LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2016-07-28 US disclosed
US-9238775-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2016-01-19 US disclosed
US-9238775-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2016-01-19 US disclosed
US-20150299572-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2015-10-22 US disclosed
US-9057019-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-06-16 US disclosed
US-20150159089-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2015-06-11 US disclosed
US-20140084210-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-03-27 US disclosed
US-7449222-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-11-11 US disclosed
US-7390538-B2 Liquid-crystal medium containing monofluoroterphenyl compounds MERCK PATENT GMBH (DE) 2008-06-24 US disclosed
US-20080121843-A1 Liquid crystals having a terminal polar radical and a terminal CH3 group and simultaneously having very high specific resistances and low threshold voltages requiring a high clearing point and low rotational viscosity; matrices HECKMEIER MICHAEL 2008-05-29 US disclosed
US-7303791-B2 Liquid crystals having a terminal polar radical and a terminal CH3 group and simultaneously having very high specific resistances and low threshold voltages requiring a high clearing point and low rotational viscosity; matrices MERCK PATENT GMBH (DE) 2007-12-04 US disclosed
US-20070269614-A1 Containing at least two nitrile-free mesogenic compounds, one of which contains rings including a phenyl ring llinked by at least one -CF2O- group; electrooptical dispalys HECKMEIER MICHAEL 2007-11-22 US disclosed
US-7291367-B2 Liquid-crystalline compounds MERCK PATENT GMBH (DE) 2007-11-06 US disclosed
US-7250198-B2 For electrooptical display MERCK PATENT GMBH (DE) 2007-07-31 US disclosed
US-7189440-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-03-13 US disclosed
US-7175891-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-02-13 US disclosed
US-20070001149-A1 Liquid-crystal medium containing monofluoroterphenyl compounds MERCK PATENT GMBH (DE) 2007-01-04 US disclosed