SCHEMBL8961894

SCHEMBL8961894

C=CC(=O)OCCCOC(=O)Oc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.62
TSHR P16473 5/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.46
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 2/20 0.39
PDE6D O43924 1/20 0.38
THRA P10827 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36

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
SCHEMBL8961853 0.97 THRB (0.62) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL8961917 0.94 THRB (0.71) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL13899190 0.92 THRB (0.69) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL29315964 0.91 THRB (0.52) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL29315969 0.87 TSHR (0.51) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL991327 0.86 THRB (0.50) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL14408201 0.86 THRB (0.54) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL69211 0.85 THRB (0.84) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL29315967 0.85 THRB (0.59) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL13899156 0.84 THRB (0.55) THRBTSHRALDH1A1CYP3A4HPGD

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-5488089-A Curable resin composition KANSAI PAINT CO., LTD. (JP) 1996-01-30 US disclosed