SCHEMBL7738944

SCHEMBL7738944

CCCCc1ccc(CCc2cc(F)c(C(=O)O)c(F)c2-c2cc(F)c(F)c(F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.48
RARA P10276 2/20 0.48
RARG P13631 1/20 0.48
EP300 Q09472 1/20 0.44
KAT5 Q92993 1/20 0.44
KAT8 Q9H7Z6 1/20 0.44
PLK1 P53350 3/20 0.43
PLK3 Q9H4B4 2/20 0.43
MPL P40238 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MTOR P42345 1/20 0.39
KMT2A Q03164 1/20 0.39
DHODH Q02127 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39

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
SCHEMBL7738974 0.96 RARB (0.53) RARBRARARARGEP300KAT5
SCHEMBL7738979 0.95 RARB (0.55) RARBRARARARGEP300KAT5
SCHEMBL7736710 0.95 RARB (0.55) RARBRARARARGEP300KAT5
SCHEMBL7738926 0.95 RARB (0.55) RARBRARARARGEP300KAT5
SCHEMBL7737174 0.95 RARB (0.55) RARBRARARARGEP300KAT5
SCHEMBL7738931 0.95 RARB (0.55) RARBRARARARGEP300KAT5
SCHEMBL7738987 0.93 RARB (0.41) RARBRARARARGEP300KAT5
SCHEMBL7736815 0.90 RARB (0.39) RARBRARARARGEP300KAT5
SCHEMBL7736708 0.89 FFAR4 (0.38) RARBRARARARGALDH1A1MEN1
SCHEMBL7728379 0.85 PTPN1 (0.42) RARBRARARARGPLK1PLK3

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