SCHEMBL7722958

SCHEMBL7722958

CCCCCc1ccc(C(F)(F)Oc2cc(F)c(C(F)(F)F)c(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
FAAH O00519 1/20 0.39
PLK1 P53350 2/20 0.38
THRB P10828 1/20 0.38
RARB P10826 3/20 0.38
RARA P10276 1/20 0.38
RARG P13631 1/20 0.38
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SHBG P04278 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL7722573 0.97 THRB (0.39) HTR2AFAAHPLK1THRBRARB
SCHEMBL7729444 0.96 PSEN1 (0.36) HTR2AFAAHPLK1THRBRARB
SCHEMBL7730657 0.94 PSEN1 (0.37) HTR2AFAAHPLK1THRBPPARG
SCHEMBL7730440 0.91 THRB (0.39) HTR2AFAAHPLK1THRBRARB
SCHEMBL7732825 0.91 TAAR1 (0.37) PLK1THRBLPLLIPGPPARG
SCHEMBL14226647 0.90 RARB (0.38) RARBRARARARGPPARGPPARA
SCHEMBL7735269 0.90 RARB (0.45) HTR2AFAAHPLK1THRBRARB
SCHEMBL7730819 0.90 THRB (0.33) HTR2AFAAHPLK1THRBRARB
SCHEMBL7731160 0.89 HTR2A (0.41) HTR2AFAAHPLK1THRBRARB
SCHEMBL7730810 0.89 S1PR1 (0.34) HTR2AFAAHPLK1THRBRARB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9057017-B2 Liquid crystal composition and liquid crystal display device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-06-16 US disclosed
US-9057017-B2 Liquid crystal composition and liquid crystal display device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-06-16 US disclosed
US-20130126782-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-05-23 US disclosed
US-20130126782-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-05-23 US disclosed
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed