SCHEMBL7731318

SCHEMBL7731318

CC[C@H]1CC[C@H](c2ccc(C(F)(F)Oc3cc(F)c(C(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
DGAT1 O75907 2/20 0.33
SOAT1 P35610 1/20 0.33
IDO1 P14902 1/20 0.33
CYP2C9 P11712 1/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR2 Q92731 1/20 0.31
DRD2 P14416 1/20 0.30
PDE2A O00408 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
SCHEMBL7731321 1.00 HTR2C (0.34) HTR2CALDH1A1LMNAMAPTDGAT1
SCHEMBL7722720 0.97 HTR2C (0.32) HTR2CALDH1A1LMNAMAPTDGAT1
SCHEMBL7722724 0.97 HTR2C (0.32) HTR2CALDH1A1LMNAMAPTDGAT1
SCHEMBL7722714 0.97 HTR2C (0.32) HTR2CALDH1A1LMNAMAPTDGAT1
SCHEMBL7733221 0.92 ALDH1A1 (0.43) HTR2CALDH1A1LMNAMAPTDGAT1
SCHEMBL7733214 0.92 ALDH1A1 (0.43) HTR2CALDH1A1LMNAMAPTDGAT1
SCHEMBL7722755 0.90 ALDH1A1 (0.34) HTR2CALDH1A1LMNAMAPTDGAT1
SCHEMBL7722756 0.90 ALDH1A1 (0.34) HTR2CALDH1A1LMNAMAPTDGAT1
SCHEMBL7730616 0.90 ALDH1A1 (0.36) HTR2CALDH1A1LMNAMAPTIDO1
SCHEMBL7730622 0.90 ALDH1A1 (0.36) HTR2CALDH1A1LMNAMAPTIDO1

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-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