SCHEMBL7734834

SCHEMBL7734834

CC[C@H]1CC[C@H](c2ccc(C(F)(F)Oc3ccc(OC(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.38
EPHX2 P34913 8/20 0.36
MCHR1 Q99705 1/20 0.35
SLC7A5 Q01650 1/20 0.34
TRPV1 Q8NER1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 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
SCHEMBL7734839 1.00 PDE2A (0.38) PDE2AEPHX2MCHR1SLC7A5TRPV1
SCHEMBL7729943 0.97 PDE2A (0.36) PDE2AEPHX2MCHR1SLC7A5TRPV1
SCHEMBL7729936 0.97 PDE2A (0.36) PDE2AEPHX2MCHR1SLC7A5TRPV1
SCHEMBL7729940 0.97 PDE2A (0.36) PDE2AEPHX2MCHR1SLC7A5TRPV1
SCHEMBL7732905 0.92 ALDH1A1 (0.40) PDE2AEPHX2MCHR1SLC7A5ALDH1A1
SCHEMBL7732908 0.92 ALDH1A1 (0.40) PDE2AEPHX2MCHR1SLC7A5ALDH1A1
SCHEMBL7734987 0.90 ALDH1A1 (0.34) PDE2AEPHX2MCHR1SLC7A5ALDH1A1
SCHEMBL7734992 0.90 ALDH1A1 (0.34) PDE2AEPHX2MCHR1SLC7A5ALDH1A1
SCHEMBL7729337 0.89 ALDH1A1 (0.38) PDE2AEPHX2MCHR1SLC7A5ALDH1A1
SCHEMBL7722821 0.89 ALDH1A1 (0.34) PDE2AEPHX2MCHR1SLC7A5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed
EP-0786509-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2001-09-12 EP disclosed
EP-0786508-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2001-01-17 EP disclosed
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed
US-5792386-A A MIXTURE OF ALKYLCYCLOHEXYL(PHENYLENE)DIFLUROMETHOXY-BENZENES AND FLUORO-CONTAINING COMPOUNDS; LOW VISCOSITY; LOW TEMPERATURE MISCIBILITY; HEAT AND CHEMICAL RESISTANCE; ACTIVE MATRIX CHISSO CORPORATION (JP) 1998-08-11 US disclosed
US-5728319-A Liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 1998-03-17 US disclosed
EP-0786508-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1997-07-30 EP disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed
EP-0786509-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1997-07-30 EP disclosed