SCHEMBL7736458

SCHEMBL7736458

CCC[C@H]1CC[C@H](c2ccc(C(=O)Cl)c(F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.52
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
ESR2 Q92731 2/20 0.36
PANK3 Q9H999 1/20 0.36
ALOX15 P16050 1/20 0.35
SCN9A Q15858 2/20 0.34
OPRL1 P41146 2/20 0.34
FASN P49327 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CCR2 P41597 1/20 0.33
POLQ O75417 1/20 0.33
HCRTR2 O43614 1/20 0.32
HSD17B2 P37059 1/20 0.32

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
SCHEMBL7736461 1.00 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9669086 0.91 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9812547 0.89 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTESR2
SCHEMBL9812558 0.89 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTESR2
SCHEMBL10783589 0.88 CYP2C9 (0.53) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7736072 0.88 CYP2C9 (0.53) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7736071 0.88 CYP2C9 (0.53) CYP2C9ALDH1A1LMNAMAPTMEN1
Hydrochloric Acid SCHEMBL8066411 0.87 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10524705 0.87 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1
Hydrochloric Acid SCHEMBL8066406 0.87 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1

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 7 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
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
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