SCHEMBL7735986

SCHEMBL7735986

CCC[C@H]1CC[C@H](c2cc(F)c(C(=O)O)c(F)c2-c2cc(F)c(F)c(F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
OPRL1 P41146 9/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
DGAT1 O75907 1/20 0.33
WDR5 P61964 2/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
SCN9A Q15858 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
SCHEMBL7735987 1.00 CYP2C9 (0.36) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL7736026 0.97 CYP2C9 (0.34) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL7736025 0.97 CYP2C9 (0.34) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL7736492 0.93 MAPT (0.36) CYP2C9OPRL1MAPTDGAT1SCN9A
SCHEMBL7736491 0.93 MAPT (0.36) CYP2C9OPRL1MAPTDGAT1SCN9A
SCHEMBL7736735 0.92 OPRL1 (0.34) CYP2C9OPRL1MAPTDGAT1MEN1
SCHEMBL7736731 0.92 OPRL1 (0.34) CYP2C9OPRL1MAPTDGAT1MEN1
SCHEMBL7737255 0.91 RARB (0.34) CYP2C9OPRL1MAPTMEN1KMT2A
SCHEMBL7736463 0.91 RARB (0.34) CYP2C9OPRL1MAPTMEN1KMT2A
SCHEMBL7736214 0.91 RARB (0.34) CYP2C9OPRL1MAPTMEN1KMT2A

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-0808825-A1 PHENYL BENZOATE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CHISSO CORPORATION (JP) 1997-11-26 EP disclosed
EP-0808886-A1 LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY ELEMENTS CHISSO CORPORATION (JP) 1997-11-26 EP disclosed