SCHEMBL25523536

SCHEMBL25523536

CC(C)c1c(O)cc(-c2cnc3cccc(O)c3c2)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 4/20 0.39
▸ PDGFRA P16234 4/20 0.39
▸ AHR P35869 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ PSMB5 P28074 1/20 0.34
▸ MAPK10 P53779 5/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ CSNK1G2 P78368 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ MAP4K5 Q9Y4K4 1/20 0.33
▸ EGFR P00533 2/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PIK3CG P48736 1/20 0.32

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
SCHEMBL25524007 0.87 PDGFRB (0.40) PDGFRBPDGFRAKDM4EIDO1TDO2
SCHEMBL31538928 0.81 PDGFRB (0.51) PDGFRBPDGFRAAHRKDM4EMAP4K4
SCHEMBL25521682 0.81 PDGFRB (0.51) PDGFRBPDGFRAAHRKDM4EMAP4K4
SCHEMBL30873746 0.78 KDM4E (0.56) PDGFRBPDGFRAKDM4EIDO1TDO2
SCHEMBL28723760 0.78 KDM4E (0.56) PDGFRBPDGFRAKDM4EIDO1TDO2
SCHEMBL25523416 0.72 PDGFRB (0.43) PDGFRBPDGFRAKDM4EMAP4K4CLK4
SCHEMBL25521555 0.72 ERN1 (0.50) KDM4EERN1CA1CA2TP53
SCHEMBL5215594 0.71 KDM4E (0.53) KDM4EIDO1TDO2ERN1ALDH1A1
SCHEMBL25521680 0.71 ADORA2A (0.54) AHREGFRPIK3CDPIK3CAPIK3CB
SCHEMBL29696057 0.70 ERN1 (0.42) PDGFRBPDGFRAKDM4EIDO1TDO2

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
WO-2023086428-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2023-05-19 — — WO disclosed
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