SCHEMBL13664620

SCHEMBL13664620

C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C=C)cc3)c(C(F)(F)F)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
NR1H4 Q96RI1 2/20 0.36
THRB P10828 2/20 0.35
AR P10275 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
PRSS1 P07477 3/20 0.34
ALDH1A1 P00352 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ACR P10323 2/20 0.33
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
KMT2A Q03164 2/20 0.33
SRD5A2 P31213 1/20 0.33
MEN1 O00255 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
SCHEMBL5961813 0.94 RXRA (0.36) RXRARXRBRXRGNR1H4THRB
SCHEMBL12733757 0.92 MAPT (0.36) RXRARXRBRXRGNR1H4THRB
SCHEMBL14088565 0.89 THRB (0.41) RXRARXRBRXRGNR1H4THRB
SCHEMBL12154238 0.89 NR1H4 (0.46) NR1H4THRBKDM4EPOLBMAPT
SCHEMBL5952860 0.88 HTT (0.41) RXRARXRBRXRGTHRBPOLB
SCHEMBL12154225 0.86 THRB (0.38) THRBMAPTPRSS1ALDH1A1ACR
SCHEMBL12733816 0.86 THRB (0.40) THRBKDM4EPOLBMAPTMAPK1
SCHEMBL12733822 0.85 THRB (0.37) THRBKDM4EPOLBMAPTMAPK1
SCHEMBL19759249 0.85 THRB (0.39) THRBKDM4EPOLBMAPTMAPK1
SCHEMBL14453796 0.84 NR1H4 (0.42) RXRARXRBRXRGNR1H4THRB

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