Esculetin

Esculetin

SCHEMBL8716360

O=c1ccc2cc(O)c(O)cc2o1.O=c1ccc2cc(O)c(O)cc2o1.O=c1ccc2ccc(O)cc2o1

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 8/20 0.82
CA12 O43570 6/20 0.82
MCL1 Q07820 5/20 0.82
AKR1B1 P15121 4/20 0.82
KDM4E B2RXH2 4/20 0.82
ALDH1A1 P00352 4/20 0.82
CA1 P00915 4/20 0.82
GLA P06280 3/20 0.82
GAA P10253 3/20 0.82
HPGD P15428 3/20 0.82
CASP1 P29466 3/20 0.82
CASP7 P55210 3/20 0.82
HSD17B10 Q99714 3/20 0.82
ERAP1 Q9NZ08 3/20 0.82
KMT2A Q03164 3/20 0.82
MEN1 O00255 2/20 0.82
CYP1A2 P05177 2/20 0.82
HIF1A Q16665 2/20 0.82
TDP1 Q9NUW8 1/20 0.82
LMNA P02545 1/20 0.82

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 0.92 CA9 (0.70) CA9CA12MCL1AKR1B1KDM4E
Esculetin SCHEMBL29569228 0.91 CA9 (1.00) CA9CA12MCL1AKR1B1KDM4E
Esculetin SCHEMBL6867015 0.91 CA9 (1.00) CA9CA12MCL1AKR1B1KDM4E
Esculetin SCHEMBL24641 0.91 CA9 (1.00) CA9CA12MCL1AKR1B1KDM4E
Umbelliferone SCHEMBL29624448 0.91 CA9 (1.00) CA9CA12MCL1AKR1B1KDM4E
Umbelliferone SCHEMBL22018 0.91 CA9 (1.00) CA9CA12MCL1AKR1B1KDM4E
Umbelliferone SCHEMBL29396070 0.91 CA9 (1.00) CA9CA12MCL1AKR1B1KDM4E
Umbelliferone SCHEMBL11137587 0.91 CA9 (1.00) CA9CA12MCL1AKR1B1KDM4E
Esculetin SCHEMBL1736697 0.89 CA9 (0.96) CA9CA12MCL1AKR1B1KDM4E
Esculetin SCHEMBL30120615 0.89 CA9 (0.96) CA9CA12MCL1AKR1B1KDM4E

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-0870082-A1 ENZYMATIC METHOD FOR DYEING NOVO NORDISK BIOCHEM NORTH AMERICA (US) 1998-10-14 EP disclosed
WO-1997023684-A1 ENZYMATIC METHOD FOR DYEING NOVO NORDISK BIOCHEM NORTH AMERICA, INC. (US) 1997-07-03 WO disclosed