SCHEMBL7730587

SCHEMBL7730587

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 2/20 0.33
IDO1 P14902 2/20 0.32
TRPV3 Q8NET8 1/20 0.32
HTR2C P28335 2/20 0.32
CHRM3 P20309 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
DGAT1 O75907 2/20 0.31
SOAT1 P35610 1/20 0.31
ESR2 Q92731 1/20 0.31
DRD2 P14416 2/20 0.31
ADRA1A P35348 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL7730595 1.00 ALDH1A1 (0.34) ALDH1A1LMNAMAPTCYP2C9IDO1
SCHEMBL7735128 0.92 ALDH1A1 (0.43) ALDH1A1LMNAMAPTCYP2C9IDO1
SCHEMBL7735132 0.92 ALDH1A1 (0.43) ALDH1A1LMNAMAPTCYP2C9IDO1
SCHEMBL7735095 0.90 KDM1A (0.36) ALDH1A1LMNAMAPTCYP2C9IDO1
SCHEMBL7735093 0.90 KDM1A (0.36) ALDH1A1LMNAMAPTCYP2C9IDO1
SCHEMBL7722756 0.89 ALDH1A1 (0.34) ALDH1A1LMNAMAPTCYP2C9IDO1
SCHEMBL7722755 0.89 ALDH1A1 (0.34) ALDH1A1LMNAMAPTCYP2C9IDO1
SCHEMBL7734834 0.89 PDE2A (0.38) ALDH1A1LMNAMAPT
SCHEMBL7722667 0.89 MAPT (0.36) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7722669 0.89 MAPT (0.36) ALDH1A1LMNAMAPTCYP2C9MEN1

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