SCHEMBL7728334

SCHEMBL7728334

O=C(O)c1cccc(-c2cc(F)c(F)c(F)c2)c1CC(F)CCCCF

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.36
DHODH Q02127 6/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ANPEP P15144 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
ALB P02768 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.31
FTO Q9C0B1 1/20 0.31
HNF4A P41235 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
SYK P43405 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL7728743 0.90 RARB (0.40) CD274DHODHALDH1A1LTB4R2
SCHEMBL7728688 0.89 RARB (0.42) CD274ALDH1A1LTB4R2
SCHEMBL7737155 0.89 RARB (0.42) CD274ALDH1A1LTB4R2
SCHEMBL7736720 0.89 RARB (0.42) CD274ALDH1A1LTB4R2
SCHEMBL7728663 0.89 LTB4R2 (0.39) CD274DHODHLTB4R2SYK
SCHEMBL7728586 0.88 CD274 (0.35) CD274DHODHANPEPACMSDALB
SCHEMBL7736033 0.88 CD274 (0.37) CD274DHODHLTB4R2FFAR4SYK
SCHEMBL7736819 0.87 LTB4R2 (0.36) CD274DHODHLTB4R2SYK
SCHEMBL7736423 0.87 LTB4R2 (0.38) CD274DHODHLTB4R2SYK
SCHEMBL7737258 0.86 CD274 (0.37) CD274DHODHANPEPACMSDALB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6468606-B1 LOW VISCOSITY, HIGH DIELECTRIC ANISOTROPY, LOW OPTICAL ANISOTROPY, EXCELLENT LOW TEMPERATURE COMPATIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUNDS; 3,4,5-TRIFLUOROPHENYL-(2-FLUORO-4-(TRANS-4-PROPYLCYCLOHEXYL))BENZOATE CHISSO CORPORATION (JP) 2002-10-22 US disclosed
EP-0808825-B1 PHENYL BENZOATE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CHISSO CORP (JP) 2001-09-12 EP disclosed
US-5922243-A LOW VISCOSITY, HIGH DIELECTRIC AND LOW OPTICAL ANISOTROPY, EXCELLENT COMPATIBILITY CHISSO CORPORATION (JP) 1999-07-13 US disclosed
EP-0808825-A1 PHENYL BENZOATE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CHISSO CORPORATION (JP) 1997-11-26 EP disclosed