SCHEMBL7730711

SCHEMBL7730711

CC[C@H]1CC[C@H](c2ccc(C(F)(F)Oc3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
PDE2A O00408 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
EPHX2 P34913 2/20 0.35
CYP2C9 P11712 1/20 0.35
CCR6 P51684 2/20 0.35
KCNH2 Q12809 1/20 0.35
HTR2C P28335 2/20 0.35
KIF11 P52732 1/20 0.35
ESR2 Q92731 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL7730716 1.00 KDM1A (0.42) KDM1ARCOR1L3MBTL1ALDH1A1LMNA
SCHEMBL7735321 0.97 KDM1A (0.40) KDM1ARCOR1L3MBTL1ALDH1A1LMNA
SCHEMBL7735315 0.97 KDM1A (0.40) KDM1ARCOR1L3MBTL1ALDH1A1LMNA
SCHEMBL7735317 0.97 KDM1A (0.40) KDM1ARCOR1L3MBTL1ALDH1A1LMNA
SCHEMBL7731482 0.96 KDM1A (0.40) KDM1ARCOR1L3MBTL1ALDH1A1LMNA
SCHEMBL7731478 0.96 KDM1A (0.40) KDM1ARCOR1L3MBTL1ALDH1A1LMNA
SCHEMBL7731470 0.96 KDM1A (0.40) KDM1ARCOR1L3MBTL1ALDH1A1LMNA
SCHEMBL7732736 0.92 HTR2C (0.44) KDM1ARCOR1ALDH1A1LMNAMAPT
SCHEMBL7732732 0.92 HTR2C (0.44) KDM1ARCOR1ALDH1A1LMNAMAPT
SCHEMBL9062385 0.92 KDM1A (0.48) KDM1ARCOR1L3MBTL1ALDH1A1LMNA

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-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