Esculetin

Esculetin

SCHEMBL8718947

O=c1ccc2cc(O)c(O)cc2o1.O=c1ccc2cc(O)c(O)cc2o1.O=c1ccc2ccccc2o1

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 11/20 0.79
CA12 O43570 9/20 0.79
MCL1 Q07820 6/20 0.79
AKR1B1 P15121 5/20 0.79
HPGD P15428 5/20 0.79
GAA P10253 4/20 0.79
KDM4E B2RXH2 3/20 0.79
ALDH1A1 P00352 3/20 0.79
GLA P06280 3/20 0.79
CASP1 P29466 3/20 0.79
CASP7 P55210 3/20 0.79
HSD17B10 Q99714 3/20 0.79
ERAP1 Q9NZ08 3/20 0.79
LMNA P02545 2/20 0.79
CYP1A2 P05177 2/20 0.79
HIF1A Q16665 2/20 0.79
SMN1; SMN2 Q16637 2/20 0.79
BCHE P06276 1/20 0.79
CYP3A4 P08684 1/20 0.79
MAPT P10636 1/20 0.79

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
Esculetin SCHEMBL8415100 0.94 CA9 (0.70) CA9CA12MCL1AKR1B1HPGD
Esculetin SCHEMBL29569228 0.89 CA9 (1.00) CA9CA12MCL1AKR1B1HPGD
Esculetin SCHEMBL24641 0.89 CA9 (1.00) CA9CA12MCL1AKR1B1HPGD
Esculetin SCHEMBL6867015 0.89 CA9 (1.00) CA9CA12MCL1AKR1B1HPGD
3-Hydroxycoumarin SCHEMBL27436988 0.88 HPGD (0.80) CA9CA12MCL1AKR1B1HPGD
Esculetin SCHEMBL8708221 0.87 CA9 (0.96) CA9CA12MCL1AKR1B1HPGD
Esculetin SCHEMBL30120615 0.87 CA9 (0.96) CA9CA12MCL1AKR1B1HPGD
Esculetin SCHEMBL1736697 0.87 CA9 (0.96) CA9CA12MCL1AKR1B1HPGD
Esculetin SCHEMBL29163498 0.87 CA9 (0.96) CA9CA12MCL1AKR1B1HPGD
Coumarin SCHEMBL27986957 0.85 CA9 (0.80) CA9CA12MCL1AKR1B1HPGD

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
EP-0873444-A1 ENZYMATIC METHOD FOR TEXTILE DYEING Novo Nordisk Biochem North America (US) 1998-10-28 EP disclosed
WO-1997023685-A1 ENZYMATIC METHOD FOR TEXTILE DYEING NOVO NORDISK BIOCHEM NORTH AMERICA, INC. (US) 1997-07-03 WO disclosed