SCHEMBL13664616

SCHEMBL13664616

C=CC(=O)OCOc1ccc(OCOc2ccc3c(c2)C(C)(C)c2cc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)ccc2-3)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.35
THRB P10828 2/20 0.34
KMT2A Q03164 4/20 0.34
GBA1 P04062 2/20 0.34
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
MAPT P10636 3/20 0.33
CYP3A4 P08684 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALK Q9UM73 1/20 0.33
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
MEN1 O00255 1/20 0.32
PRSS1 P07477 1/20 0.32
ACR P10323 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
SCHEMBL11986166 0.98 HIF1A (0.36) HIF1ATHRBKMT2AGBA1RARA
SCHEMBL15480713 0.93 THRB (0.45) HIF1ATHRBKMT2AGBA1RARA
SCHEMBL13226631 0.90 HIF1A (0.38) HIF1ATHRBKMT2AGBA1MAPT
SCHEMBL11986077 0.90 RARA (0.37) HIF1ATHRBKMT2AGBA1RARA
SCHEMBL11986111 0.88 RARA (0.36) HIF1ATHRBKMT2AGBA1RARA
SCHEMBL12769578 0.87 RARA (0.33) THRBKMT2ARARARARBMAPT
SCHEMBL14185456 0.87 KMT2A (0.36) HIF1ATHRBKMT2AGBA1RARA
SCHEMBL17716770 0.86 HTT (0.42) THRBKMT2AMAPTCYP3A4TDP1
SCHEMBL13806826 0.85 KMT2A (0.36) HIF1AKMT2AGBA1RARARARB
SCHEMBL11986083 0.85 SERPINE1 (0.37) HIF1AKMT2ARARARARBMAPT

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 1 patent. 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