SCHEMBL7734987

SCHEMBL7734987

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SLC7A5 Q01650 1/20 0.34
EPHX2 P34913 6/20 0.34
PDE2A O00408 2/20 0.34
MCHR1 Q99705 1/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP4 P27487 2/20 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
SCHEMBL7734992 1.00 ALDH1A1 (0.34) ALDH1A1LMNAMAPTSLC7A5EPHX2
SCHEMBL7722800 0.97 EPHX2 (0.33) ALDH1A1LMNAMAPTSLC7A5EPHX2
SCHEMBL7722807 0.97 EPHX2 (0.33) ALDH1A1LMNAMAPTSLC7A5EPHX2
SCHEMBL7722809 0.97 EPHX2 (0.33) ALDH1A1LMNAMAPTSLC7A5EPHX2
SCHEMBL7722821 0.97 ALDH1A1 (0.34) ALDH1A1LMNAMAPTSLC7A5EPHX2
SCHEMBL7722826 0.97 ALDH1A1 (0.34) ALDH1A1LMNAMAPTSLC7A5EPHX2
SCHEMBL12032104 0.95 EPHX2 (0.33) ALDH1A1LMNAMAPTSLC7A5EPHX2
SCHEMBL7734984 0.94 EPHX2 (0.33) ALDH1A1LMNAMAPTSLC7A5EPHX2
SCHEMBL7734996 0.94 EPHX2 (0.33) ALDH1A1LMNAMAPTSLC7A5EPHX2
SCHEMBL7734993 0.94 EPHX2 (0.33) ALDH1A1LMNAMAPTSLC7A5EPHX2

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-0786509-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-0786508-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1997-07-30 EP disclosed