SCHEMBL7732732

SCHEMBL7732732

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.44
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KDM1A O60341 2/20 0.36
RCOR1 Q9UKL0 2/20 0.36
IDO1 P14902 1/20 0.36
DGAT1 O75907 1/20 0.35
SOAT1 P35610 1/20 0.35
CYP2C9 P11712 1/20 0.35
DRD2 P14416 2/20 0.34
DRD4 P21917 1/20 0.34
GRM2 Q14416 1/20 0.34
ESR2 Q92731 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
PRMT5 O14744 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
SCHEMBL7732736 1.00 HTR2C (0.44) HTR2CALDH1A1LMNAMAPTKDM1A
SCHEMBL7731688 0.97 HTR2C (0.42) HTR2CALDH1A1LMNAMAPTKDM1A
SCHEMBL7731685 0.97 HTR2C (0.42) HTR2CALDH1A1LMNAMAPTKDM1A
SCHEMBL7731691 0.97 HTR2C (0.42) HTR2CALDH1A1LMNAMAPTKDM1A
SCHEMBL7730583 0.96 HTR2C (0.41) HTR2CALDH1A1LMNAMAPTKDM1A
SCHEMBL7730592 0.96 HTR2C (0.41) HTR2CALDH1A1LMNAMAPTKDM1A
SCHEMBL7730578 0.96 HTR2C (0.41) HTR2CALDH1A1LMNAMAPTKDM1A
SCHEMBL7730711 0.92 KDM1A (0.42) HTR2CALDH1A1LMNAMAPTKDM1A
SCHEMBL7730716 0.92 KDM1A (0.42) HTR2CALDH1A1LMNAMAPTKDM1A
SCHEMBL7729160 0.91 ALDH1A1 (0.47) HTR2CALDH1A1LMNAMAPTKDM1A

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 6 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-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-5728319-A Liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 1998-03-17 US 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