SCHEMBL13024945

SCHEMBL13024945

C=CC(=O)OCOc1ccc(OCOc2ccc(C(=O)Oc3ccc(OCOC(=O)C=C)cc3)c(C)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.34
NPC1 O15118 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HTT P42858 1/20 0.34
CASP3 P42574 2/20 0.34
SENP8 Q96LD8 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP6 Q9GZR1 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.34
TP53 P04637 1/20 0.34
GSTP1 P09211 1/20 0.34
RARA P10276 1/20 0.33
RARB P10826 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
SCHEMBL26079315 0.93 KMT2A (0.38) THRBKMT2AMEN1LMNAMAPT
SCHEMBL14614873 0.91 L3MBTL1 (0.41) KMT2AMEN1LMNAMAPTL3MBTL1
SCHEMBL16449842 0.91 KMT2A (0.42) THRBKMT2AMEN1LMNAMAPT
SCHEMBL12154308 0.90 GAA (0.39) THRBKMT2AMEN1LMNAMAPT
SCHEMBL16807845 0.89 KMT2A (0.46) THRBKMT2AMEN1LMNAMAPT
SCHEMBL12242636 0.88 GSTP1 (0.36) THRBKMT2AMEN1LMNAMAPT
SCHEMBL16491593 0.87 KMT2A (0.44) THRBKMT2AMEN1LMNAMAPT
SCHEMBL12769564 0.87 NPC1 (0.39) THRBLMNAMAPTL3MBTL1NPC1
SCHEMBL12154303 0.87 PPARD (0.34) THRBKMT2AMEN1LMNAMAPT
SCHEMBL14192434 0.86 KMT2A (0.39) THRBKMT2AMEN1LMNAMAPT

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-20100297367-A1 OPTICALLY ANISOTROPIC SUBSTANCE CHISSO CORPORATION (JP) 2010-11-25 US disclosed