SCHEMBL29477355

SCHEMBL29477355

COc1cc([C@H]2O[C@@H](c3ccc4c(c3)OCO4)[C@H](C)[C@@H]2C)ccc1O

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.74
PPARG P37231 3/20 0.73
PPARD Q03181 3/20 0.73
PPARA Q07869 1/20 0.73
MAPK9 P45984 2/20 0.69
HIF1A Q16665 2/20 0.69
EPAS1 Q99814 2/20 0.69
SOAT1 P35610 5/20 0.60

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
SCHEMBL30991863 1.00 NR3C1 (0.74) NR3C1PPARGPPARDPPARAMAPK9
SCHEMBL12604782 1.00 NR3C1 (0.74) NR3C1PPARGPPARDPPARAMAPK9
SCHEMBL29477356 1.00 NR3C1 (0.74) NR3C1PPARGPPARDPPARAMAPK9
SCHEMBL12604779 1.00 NR3C1 (0.74) NR3C1PPARGPPARDPPARAMAPK9
SCHEMBL30678812 0.90 MAPK9 (0.69) NR3C1PPARGPPARDPPARAMAPK9
Machilin G SCHEMBL31108393 0.88 MAPK9 (0.75) MAPK9HIF1AEPAS1SOAT1
Machilin G SCHEMBL29477303 0.88 MAPK9 (0.75) MAPK9HIF1AEPAS1SOAT1
Machilin G SCHEMBL29477295 0.88 MAPK9 (0.75) MAPK9HIF1AEPAS1SOAT1
Tetrahydrofuroguaiacin B SCHEMBL12118597 0.86 NR3C1 (1.00) NR3C1PPARGPPARDHIF1AEPAS1
Nectandrin B SCHEMBL893163 0.86 NR3C1 (1.00) NR3C1PPARGPPARDHIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4229639-A1 METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE GBS Global Biopharma, Inc. (CA) 2023-08-23 EP claimed
WO-2022081889-A1 METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE GBS GLOBAL BIOPHARMA, INC. (CA) 2022-04-21 WO claimed
US-20220130493-A1 METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE GBS GLOBAL BIOPHARMA, INC. (CA) 2022-04-28 US disclosed
WO-2022081889-A1 METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE GBS GLOBAL BIOPHARMA, INC. (CA) 2022-04-21 WO disclosed