SCHEMBL7729781

SCHEMBL7729781

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.39
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
DPP4 P27487 2/20 0.36
LSS P48449 2/20 0.35
SPHK1 Q9NYA1 2/20 0.35
ESR2 Q92731 1/20 0.35
RAB9A P51151 1/20 0.34
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
DRD2 P14416 1/20 0.34
IDO1 P14902 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
SCHEMBL7729784 1.00 HTR2C (0.41) HTR2CALDH1A1LMNAMAPTCYP2C9
SCHEMBL7731697 0.99 HTR2C (0.40) HTR2CALDH1A1LMNAMAPTCYP2C9
SCHEMBL7731692 0.99 HTR2C (0.40) HTR2CALDH1A1LMNAMAPTCYP2C9
SCHEMBL7731690 0.99 HTR2C (0.40) HTR2CALDH1A1LMNAMAPTCYP2C9
SCHEMBL7722795 0.96 HTR2C (0.39) HTR2CALDH1A1LMNAMAPTCYP2C9
SCHEMBL7722790 0.96 HTR2C (0.39) HTR2CALDH1A1LMNAMAPTCYP2C9
SCHEMBL7722801 0.96 HTR2C (0.39) HTR2CALDH1A1LMNAMAPTCYP2C9
SCHEMBL7729755 0.96 HTR2C (0.40) HTR2CALDH1A1LMNAMAPTCYP2C9
SCHEMBL7729750 0.96 HTR2C (0.40) HTR2CALDH1A1LMNAMAPTCYP2C9
SCHEMBL7729566 0.95 HTR2C (0.40) HTR2CALDH1A1LMNAMAPTCYP2C9

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