SCHEMBL7728331

SCHEMBL7728331

CCCCCCc1ccc(CCc2ccc(C(=O)O)c(F)c2-c2cc(F)c(F)c(F)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.65
RARA P10276 2/20 0.65
RARG P13631 1/20 0.65
PPARA Q07869 2/20 0.50
PPARG P37231 1/20 0.47
KAT8 Q9H7Z6 3/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
EP300 Q09472 1/20 0.46
KAT5 Q92993 1/20 0.46
PLK1 P53350 4/20 0.45
PLK3 Q9H4B4 1/20 0.43

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
SCHEMBL7739046 1.00 RARB (0.65) RARBRARARARGPPARAPPARG
SCHEMBL7738943 1.00 RARB (0.65) RARBRARARARGPPARAPPARG
SCHEMBL7736527 1.00 RARB (0.65) RARBRARARARGPPARAPPARG
SCHEMBL7736699 1.00 RARB (0.65) RARBRARARARGPPARAPPARG
SCHEMBL7728313 0.99 RARB (0.62) RARBRARARARGPPARAPPARG
SCHEMBL7739013 0.95 RARB (0.57) RARBRARARARGPPARAPPARG
SCHEMBL7736736 0.91 RARB (0.50) RARBRARARARGPPARAPPARG
SCHEMBL7738972 0.88 RARB (0.47) RARBRARARARGPPARAMEN1
SCHEMBL7737127 0.87 RARB (0.45) RARBRARARARGALDH1A1PLK1
SCHEMBL7737091 0.84 RARB (0.46) RARBRARARARGPPARAMAPT

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