SCHEMBL7738987

SCHEMBL7738987

CCCc1ccc(CCc2cc(F)c(C(=O)O)c(F)c2-c2cc(F)c(F)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.41
RARA P10276 1/20 0.41
RARG P13631 1/20 0.41
MCL1 Q07820 1/20 0.39
EP300 Q09472 1/20 0.38
KAT5 Q92993 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38
PLK1 P53350 3/20 0.38
PLK3 Q9H4B4 2/20 0.38
PDE10A Q9Y233 1/20 0.36
CNR2 P34972 1/20 0.36
MPL P40238 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN11 Q06124 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
DHODH Q02127 1/20 0.34
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL7738944 0.93 RARB (0.48) RARBRARARARGEP300KAT5
SCHEMBL7736815 0.93 RARB (0.39) RARBRARARARGEP300KAT5
SCHEMBL7738974 0.92 RARB (0.53) RARBRARARARGEP300KAT5
SCHEMBL7736708 0.91 FFAR4 (0.38) RARBRARARARGL3MBTL1GPR84
SCHEMBL7738926 0.91 RARB (0.55) RARBRARARARGEP300KAT5
SCHEMBL7737174 0.91 RARB (0.55) RARBRARARARGEP300KAT5
SCHEMBL7736710 0.91 RARB (0.55) RARBRARARARGEP300KAT5
SCHEMBL7738931 0.91 RARB (0.55) RARBRARARARGEP300KAT5
SCHEMBL7738979 0.91 RARB (0.55) RARBRARARARGEP300KAT5
SCHEMBL7728379 0.90 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