SCHEMBL31538928

SCHEMBL31538928

CC(C)c1c(O)cc(-c2cnc3ccccc3c2)cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 2/20 0.51
▸ PDGFRA P16234 2/20 0.51
▸ MAP4K4 O95819 1/20 0.49
▸ CSNK1G2 P78368 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ MKNK2 Q9HBH9 1/20 0.49
▸ MAP4K5 Q9Y4K4 1/20 0.49
▸ CYP2A6 P11509 1/20 0.49
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ BIRC5 O15392 1/20 0.48
▸ KDM5B Q9UGL1 1/20 0.47
▸ PIK3CD O00329 2/20 0.47
▸ PIK3CA P42336 2/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ ABL1 P00519 1/20 0.43

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
SCHEMBL25521682 1.00 PDGFRB (0.51) PDGFRBPDGFRAMAP4K4CSNK1G2CLK4
SCHEMBL25524104 0.85 PDGFRB (0.51) PDGFRBPDGFRAMAP4K4CSNK1G2CLK4
SCHEMBL27033384 0.83 CA12 (0.45) PDGFRBPDGFRAMAP4K4CSNK1G2CLK4
SCHEMBL30726162 0.83 CA12 (0.45) PDGFRBPDGFRAMAP4K4CSNK1G2CLK4
SCHEMBL27033287 0.83 MAP4K4 (0.41) PDGFRBPDGFRAMAP4K4CSNK1G2CLK4
SCHEMBL25523416 0.82 PDGFRB (0.43) PDGFRBPDGFRAMAP4K4CLK4AKR1C3
SCHEMBL31010862 0.82 PIK3CD (0.51) PDGFRBPDGFRAMAP4K4CSNK1G2CLK4
SCHEMBL25523536 0.81 PDGFRB (0.39) PDGFRBPDGFRAMAP4K4CSNK1G2CLK4
SCHEMBL27047682 0.79 PIK3CD (0.52) PDGFRBPDGFRAMAP4K4CSNK1G2CLK4
SCHEMBL25523542 0.78 EGLN1 (0.37) PDGFRBPDGFRAMAP4K4CLK4MET

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
CN-119894865-A Aryl hydrocarbon receptor agonist prodrugs and methods of use thereof 元启(苏州)生物制药有限公司 2025-04-25 — — CN disclosed
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