SCHEMBL7738972

SCHEMBL7738972

CCc1ccc(CCc2ccc(C(=O)O)c(F)c2-c2cc(F)c(F)c(F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.47
RARA P10276 2/20 0.47
RARG P13631 1/20 0.47
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
MPL P40238 3/20 0.34
EGFR P00533 1/20 0.34
LCK P06239 1/20 0.34
PPARA Q07869 1/20 0.34
METAP2 P50579 1/20 0.34
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
HCAR2 Q8TDS4 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
SCHEMBL7736736 0.93 RARB (0.50) RARBRARARARGMCL1MPL
SCHEMBL7737127 0.91 RARB (0.45) RARBRARARARGMCL1ALDH1A1
SCHEMBL7739013 0.90 RARB (0.57) RARBRARARARGALDH1A1HPGD
SCHEMBL7728313 0.89 RARB (0.62) RARBRARARARGALDH1A1MEN1
SCHEMBL7728331 0.88 RARB (0.65) RARBRARARARGALDH1A1MEN1
SCHEMBL7736527 0.88 RARB (0.65) RARBRARARARGALDH1A1MEN1
SCHEMBL7739046 0.88 RARB (0.65) RARBRARARARGALDH1A1MEN1
SCHEMBL7738943 0.88 RARB (0.65) RARBRARARARGALDH1A1MEN1
SCHEMBL7736699 0.88 RARB (0.65) RARBRARARARGALDH1A1MEN1
SCHEMBL7736036 0.87 RARB (0.43) RARBRARARARGSMN1; SMN2ALDH1A1

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