SCHEMBL13664618

SCHEMBL13664618

C=CC(=O)OCOc1ccc(CCC(=O)Oc2ccc(OC(=O)CCc3ccc(OCOC(=O)C=C)cc3F)c(C(F)(F)F)c2C(F)(F)F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 1/20 0.35
FFAR1 O14842 12/20 0.34
ALDH1A1 P00352 2/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
THRB P10828 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL14588369 0.90 THRB (0.39) AKR1C3AKR1C2FFAR1ALDH1A1PPARG
SCHEMBL14088571 0.89 THRB (0.38) AKR1C3AKR1C2FFAR1ALDH1A1PPARG
SCHEMBL12110790 0.85 THRB (0.40) AKR1C3AKR1C2FFAR1THRBFFAR4
SCHEMBL13668003 0.85 MAOB (0.36) FFAR1ALDH1A1THRBKDM4E
SCHEMBL14088573 0.84 THRB (0.35) AKR1C3AKR1C2FFAR1PPARGPPARD
SCHEMBL15582418 0.83 THRB (0.38) FFAR1THRBFFAR4
SCHEMBL14088575 0.83 PPARG (0.34) AKR1C3AKR1C2FFAR1ALDH1A1PPARG
SCHEMBL11986145 0.83 FFAR1 (0.34) FFAR1THRBFFAR4
SCHEMBL13664644 0.82 AKR1C3 (0.35) AKR1C3AKR1C2
SCHEMBL12154240 0.82 ALDH1A1 (0.38) ALDH1A1THRBKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7597945-B2 Optical compensation film; mixture of three (meth)acrylate monomers: e.g. 2,7-bis(acryloyloxyhexyloxy-1,4-phenylenecarbonyloxy)fluorene, a bis 2-fluoroacrylate monomer, and a cyanobiphenyloxyalkanol ester of (meth)acrylic acid; hardness, heat resistance, weatherability, colorless, LC physical properties CHISSO CORPORATION (JP) 2009-10-06 US disclosed
US-7597945-B2 Optical compensation film; mixture of three (meth)acrylate monomers: e.g. 2,7-bis(acryloyloxyhexyloxy-1,4-phenylenecarbonyloxy)fluorene, a bis 2-fluoroacrylate monomer, and a cyanobiphenyloxyalkanol ester of (meth)acrylic acid; hardness, heat resistance, weatherability, colorless, LC physical properties CHISSO CORPORATION (JP) 2009-10-06 US disclosed