SCHEMBL31376243

SCHEMBL31376243

COc1cc2c(c(OC)c1C(C)=O)C=CC(C)(C)O2

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.51
HIF1A Q16665 8/20 0.50
KDM4E B2RXH2 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
PDE4D Q08499 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL30040796 0.88 HSP90AA1 (0.50) HSP90AA1HIF1APDE4DNFKB1NFKB2
SCHEMBL16244979 0.88 HSP90AA1 (0.50) HSP90AA1HIF1APDE4DNFKB1NFKB2
SCHEMBL3701446 0.86 HIF1A (0.53) HSP90AA1HIF1AKDM4ECA12CA1
SCHEMBL21784055 0.81 ALDH1A1 (0.58) HSP90AA1HIF1AKDM4ECA12CA1
SCHEMBL30525081 0.81 ALDH1A1 (0.58) HSP90AA1HIF1AKDM4ECA12CA1
SCHEMBL30485071 0.80 ALDH1A1 (0.56) HSP90AA1HIF1AKDM4ECA12CA1
SCHEMBL18597366 0.79 PTPN1 (0.52)
SCHEMBL30576685 0.78 DYRK3 (0.48) HSP90AA1HIF1AKDM4ECA12CA1
SCHEMBL29073790 0.78 DYRK3 (0.48) HSP90AA1HIF1AKDM4ECA12CA1
SCHEMBL31376180 0.78 NFKB1 (0.68) HIF1AKDM4ENFKB1NFKB2RELA

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-119504685-A Benzopyran flavonoid compound, preparation method and application thereof, and pharmaceutical preparation 南开大学 2025-02-25 CN disclosed