SCHEMBL7736705

SCHEMBL7736705

CCC(F)Cc1c(C(=O)O)cccc1-c1cc(F)c(F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.38
DHODH Q02127 4/20 0.38
SYK P43405 4/20 0.36
LTB4R2 Q9NPC1 2/20 0.35
ALB P02768 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
POLB P06746 1/20 0.35
ANPEP P15144 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
RARB P10826 2/20 0.34
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LTB4R Q15722 1/20 0.33

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
SCHEMBL7736033 0.92 CD274 (0.37) CD274DHODHSYKLTB4R2RARB
SCHEMBL7737258 0.90 CD274 (0.37) CD274DHODHSYKLTB4R2ALB
SCHEMBL7728663 0.88 LTB4R2 (0.39) CD274DHODHSYKLTB4R2RARB
SCHEMBL7728743 0.87 RARB (0.40) CD274DHODHLTB4R2RARBRARA
SCHEMBL7737092 0.87 CD274 (0.39) CD274DHODHSYKLTB4R2ALB
SCHEMBL7736423 0.86 LTB4R2 (0.38) CD274DHODHSYKLTB4R2RARB
SCHEMBL7737155 0.86 RARB (0.42) CD274LTB4R2RARBRARARARG
SCHEMBL7736720 0.86 RARB (0.42) CD274LTB4R2RARBRARARARG
SCHEMBL7728688 0.86 RARB (0.42) CD274LTB4R2RARBRARARARG
SCHEMBL7736819 0.86 LTB4R2 (0.36) CD274DHODHSYKLTB4R2RARB

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