Esculin

Esculin

SCHEMBL8183298

O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1.O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)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
ALDH1A1 P00352 6/20 1.00
HPGD P15428 6/20 1.00
HSD17B10 Q99714 6/20 1.00
KDM4E B2RXH2 5/20 1.00
CASP1 P29466 5/20 1.00
CASP7 P55210 5/20 1.00
GAA P10253 5/20 1.00
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
GLA P06280 3/20 1.00
AMY1A P0DUB6 2/20 1.00
CYP2C19 P33261 1/20 1.00
STAT6 P42226 1/20 1.00
ERAP1 Q9NZ08 4/20 0.98
CA12 O43570 6/20 0.78
CA9 Q16790 6/20 0.78
CA1 P00915 5/20 0.78
CA7 P43166 3/20 0.78
CA13 Q8N1Q1 3/20 0.78
L3MBTL1 Q9Y468 2/20 0.61

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
Esculin SCHEMBL2894 1.00 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10KDM4ECASP1
Esculin SCHEMBL1706315 1.00 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10KDM4ECASP1
Esculin SCHEMBL7537406 1.00 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10KDM4ECASP1
Esculin SCHEMBL8035285 1.00 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10KDM4ECASP1
Esculin SCHEMBL29350403 1.00 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10KDM4ECASP1
Esculin SCHEMBL13096298 1.00 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10KDM4ECASP1
Esculin SCHEMBL19756246 1.00 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10KDM4ECASP1
Esculin SCHEMBL20179973 1.00 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10KDM4ECASP1
Esculin SCHEMBL2893 1.00 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10KDM4ECASP1
Esculin SCHEMBL13713835 1.00 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10KDM4ECASP1

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-6060217-A IMAGEWISE EXPOSING THE IMAGING LAYER TO INFRARED RADIATION TO PRODUCE EXPOSED AREAS, CONTACTING THE EXPOSED AREA WITH AN AQUEOUS ALKALINE DEVELOPER SOLUTION TO REMOVE THE EXPOSED AREAS TO FORM THE LITHOGRAPHIC PRINTING SURFACE KODAK POLYCHROME GRAPHICS LLC (US) 2000-05-09 US disclosed