SCHEMBL7736043

SCHEMBL7736043

CCC1CCC(C2CCC(c3ccc(C(=O)O)c(F)c3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.40
CFB P00751 1/20 0.38
RARB P10826 3/20 0.38
RARA P10276 2/20 0.38
RARG P13631 1/20 0.38
CYP2C9 P11712 1/20 0.37
DHODH Q02127 4/20 0.37
STAT3 P40763 2/20 0.37
KDM4C Q9H3R0 2/20 0.36
NOTUM Q6P988 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7736041 1.00 ACMSD (0.40) ACMSDCFBRARBRARARARG
SCHEMBL7736045 1.00 ACMSD (0.40) ACMSDCFBRARBRARARARG
SCHEMBL7736038 1.00 ACMSD (0.40) ACMSDCFBRARBRARARARG
SCHEMBL14268568 0.96 ACMSD (0.43) ACMSDCFBRARBRARARARG
SCHEMBL7028128 0.90 CYP2C9 (0.50) ACMSDCFBRARBRARARARG
SCHEMBL8387294 0.90 CYP2C9 (0.50) ACMSDCFBRARBRARARARG
SCHEMBL10782847 0.90 CYP2C9 (0.50) ACMSDCFBRARBRARARARG
SCHEMBL10782844 0.90 CYP2C9 (0.50) ACMSDCFBRARBRARARARG
SCHEMBL7736072 0.85 CYP2C9 (0.53) ACMSDCFBRARBRARARARG
SCHEMBL7736071 0.85 CYP2C9 (0.53) ACMSDCFBRARBRARARARG

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 9 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
CN-1073548-C Pheyl benzoate derivatives and liquid crystal compositions CHISSO CORP (JP) 2001-10-24 CN disclosed
EP-0808825-B1 PHENYL BENZOATE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CHISSO CORP (JP) 2001-09-12 EP disclosed
EP-0808886-B1 LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY ELEMENTS CHISSO CORP (JP) 2000-08-23 EP disclosed
US-5922243-A LOW VISCOSITY, HIGH DIELECTRIC AND LOW OPTICAL ANISOTROPY, EXCELLENT COMPATIBILITY CHISSO CORPORATION (JP) 1999-07-13 US disclosed
US-5855814-A Liquid crystal compositions and liquid crystal display elements CHISSO CORPORATION (JP) 1999-01-05 US disclosed
CN-1178520-A phenyl benzoate derivative and liquid crystal composition CHISSO CORP (JP) 1998-04-08 CN disclosed
EP-0808886-A1 LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY ELEMENTS CHISSO CORPORATION (JP) 1997-11-26 EP disclosed
EP-0808825-A1 PHENYL BENZOATE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CHISSO CORPORATION (JP) 1997-11-26 EP disclosed