Esculetin

Esculetin

SCHEMBL6867015

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 9/20 1.00
CA12 O43570 7/20 1.00
MCL1 Q07820 6/20 1.00
GAA P10253 5/20 1.00
KDM4E B2RXH2 5/20 1.00
ALDH1A1 P00352 5/20 1.00
AKR1B1 P15121 4/20 1.00
HSD17B10 Q99714 4/20 1.00
HPGD P15428 4/20 1.00
CASP1 P29466 4/20 1.00
CASP7 P55210 4/20 1.00
GLA P06280 3/20 1.00
ERAP1 Q9NZ08 3/20 1.00
CYP3A4 P08684 3/20 1.00
CYP1A2 P05177 2/20 1.00
HIF1A Q16665 2/20 1.00
ACHE P22303 2/20 1.00
LMNA P02545 1/20 1.00
BCHE P06276 1/20 1.00
MAPT P10636 1/20 1.00

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 SCHEMBL29569228 1.00 CA9 (1.00) CA9CA12MCL1GAAKDM4E
Esculetin SCHEMBL24641 1.00 CA9 (1.00) CA9CA12MCL1GAAKDM4E
Esculetin SCHEMBL29163498 0.98 CA9 (0.96) CA9CA12MCL1GAAKDM4E
Esculetin SCHEMBL1736697 0.98 CA9 (0.96) CA9CA12MCL1GAAKDM4E
Esculetin SCHEMBL8708221 0.98 CA9 (0.96) CA9CA12MCL1GAAKDM4E
Esculetin SCHEMBL30120615 0.98 CA9 (0.96) CA9CA12MCL1GAAKDM4E
Esculetin SCHEMBL6703123 0.92 CA9 (0.85) CA9CA12MCL1GAAKDM4E
Esculetin SCHEMBL8716360 0.91 CA9 (0.82) CA9CA12MCL1GAAKDM4E
Esculetin SCHEMBL8528963 0.91 CA9 (0.82) CA9CA12MCL1GAAKDM4E
Esculetin SCHEMBL8718947 0.89 CA9 (0.79) CA9CA12MCL1GAAKDM4E

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003016615-A1 SINGLE BATH PROCESS FOR BLEACHING AND DYEING TEXTILES NOVOZYMES NORTH AMERICA, INC. (US) 2003-02-27 WO claimed
EP-2708223-B1 DYEING AGENT AND USE FOR SAME AMANO ENZYME INC (JP) 2017-02-01 EP disclosed
US-8740994-B2 Dyeing agent and use for same AMANO ENZYME INC. (JP) 2014-06-03 US disclosed
EP-2708223-A1 DYEING AGENT AND USE FOR SAME Amano Enzyme Inc. (JP) 2014-03-19 EP disclosed
US-20140068875-A1 DYEING AGENT AND USE FOR SAME AMANO ENZYME INC (JP) 2014-03-13 US disclosed
WO-2013138523-A1 METHODS FOR ALTERING LIPIDS IN ALGAE AND YEAST THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-09-19 WO disclosed
US-6805718-B2 USING AROMATIC AMINE, NAPHTHOL OR AMINONAPHTHALENE AND ENZYME NOVOZYMES A/S (DK) 2004-10-19 US disclosed
US-20030226215-A1 Enzymatic method for textile dying NOVOZYMES NORTH AMERICA, INC. (US) 2003-12-11 US disclosed
EP-1342831-A2 Enzymatic method for textile dyeing Novozymes North America, Inc. (US) 2003-09-10 EP disclosed
EP-0873444-B1 ENZYMATIC METHOD FOR TEXTILE DYEING NOVOZYMES NORTH AMERICA INC (US) 2003-05-28 EP disclosed
WO-2003016615-A1 SINGLE BATH PROCESS FOR BLEACHING AND DYEING TEXTILES NOVOZYMES NORTH AMERICA, INC. (US) 2003-02-27 WO disclosed
EP-1266068-A1 ENZYMATIC METHOD FOR TEXTILE DYEING Novozymes North America, Inc. (US) 2002-12-18 EP disclosed
US-20010037532-A1 Enzymatic method for textile dyeing NOVOZYMES A/S (DK) 2001-11-08 US disclosed
US-6296672-B1 PEROXIDASE, OXIDOREDUCTASE, LACCASE NOVOZYMES A/S PATENTS (DK) 2001-10-02 US disclosed
WO-2001044563-A1 ENZYMATIC METHOD FOR TEXTILE DYEING NOVOZYMES NORTH AMERICA, INC. (US) 2001-06-21 WO disclosed
US-6036729-A DYEING, SOAKING MATERIAL WITH NAPHTHOLS, HYDROGEN PEROXIDE AND ENZYMES OF PEROXIDASE OR OXIDASE NOVO NORDISK A/S (DK) 2000-03-14 US disclosed