SCHEMBL7739013

SCHEMBL7739013

CCCCc1ccc(CCc2ccc(C(=O)O)c(F)c2-c2cc(F)c(F)c(F)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.57
RARA P10276 2/20 0.57
RARG P13631 1/20 0.57
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
MPL P40238 3/20 0.43
PPARA Q07869 2/20 0.43
EIF4A1 P60842 2/20 0.41
DHODH Q02127 1/20 0.41
PPARG P37231 1/20 0.41
KAT8 Q9H7Z6 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7728313 0.96 RARB (0.62) RARBRARARARGPPARAPPARG
SCHEMBL7736527 0.95 RARB (0.65) RARBRARARARGPPARAPPARG
SCHEMBL7736699 0.95 RARB (0.65) RARBRARARARGPPARAPPARG
SCHEMBL7739046 0.95 RARB (0.65) RARBRARARARGPPARAPPARG
SCHEMBL7728331 0.95 RARB (0.65) RARBRARARARGPPARAPPARG
SCHEMBL7738943 0.95 RARB (0.65) RARBRARARARGPPARAPPARG
SCHEMBL7736736 0.93 RARB (0.50) RARBRARARARGAKR1C2AKR1C1
SCHEMBL7738972 0.90 RARB (0.47) RARBRARARARGMPLPPARA
SCHEMBL7737127 0.89 RARB (0.45) RARBRARARARGALDH1A1
SCHEMBL7737091 0.86 RARB (0.46) RARBRARARARGAKR1C2AKR1C1

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