SCHEMBL7736025

SCHEMBL7736025

CCC[C@H]1CC[C@H](C2CCC(c3cc(F)c(C(=O)O)c(F)c3-c3cc(F)c(F)c(F)c3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
OPRL1 P41146 4/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
DGAT1 O75907 1/20 0.32
TLR4 O00206 1/20 0.31

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
SCHEMBL7736026 1.00 CYP2C9 (0.34) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL7735986 0.97 CYP2C9 (0.36) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL7735987 0.97 CYP2C9 (0.36) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL7737098 0.94 MAPT (0.34) OPRL1MAPTDGAT1
SCHEMBL7737094 0.94 MAPT (0.34) OPRL1MAPTDGAT1
SCHEMBL7737151 0.93 OPRL1 (0.33) CYP2C9OPRL1MAPTDGAT1
SCHEMBL7737154 0.93 OPRL1 (0.33) CYP2C9OPRL1MAPTDGAT1
SCHEMBL7738937 0.92 RARB (0.33) CYP2C9OPRL1MAPT
SCHEMBL7736042 0.92 RARB (0.33) CYP2C9OPRL1MAPT
SCHEMBL7737145 0.92 RARB (0.33) CYP2C9OPRL1MAPT

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