SCHEMBL30545313

SCHEMBL30545313

COc1cc(O)c(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c(OC)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.82
CYP3A4 P08684 5/20 0.74
MAPT P10636 4/20 0.74
KMT2A Q03164 3/20 0.74
KDM4E B2RXH2 2/20 0.74
MEN1 O00255 2/20 0.74
HPGD P15428 2/20 0.74
TDP1 Q9NUW8 2/20 0.74
MCL1 Q07820 1/20 0.74
NFKB1 P19838 1/20 0.74
DPP4 P27487 1/20 0.74
NFKB2 Q00653 1/20 0.74
RELA Q04206 1/20 0.74
TP53 P04637 2/20 0.72
ATM Q13315 1/20 0.72
HSD17B10 Q99714 1/20 0.72
USP2 O75604 1/20 0.70
ALDH1A1 P00352 1/20 0.70
ALOX15 P16050 1/20 0.70
MAPK1 P28482 1/20 0.70

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
SCHEMBL12375232 0.90 MAPT (0.71) ABCG2CYP3A4MAPTKMT2AKDM4E
SCHEMBL4160334 0.90 ABCG2 (1.00) ABCG2CYP3A4MAPTKMT2AKDM4E
SCHEMBL10847648 0.90 ABCG2 (1.00) ABCG2CYP3A4MAPTKMT2AKDM4E
SCHEMBL12375238 0.88 ABCG2 (0.64) ABCG2CYP3A4MAPTKMT2AKDM4E
SCHEMBL28064283 0.86 MAOA (0.70) ABCG2CYP3A4MAPTKMT2AKDM4E
SCHEMBL28064281 0.86 MAOA (0.70) ABCG2CYP3A4MAPTKMT2AKDM4E
SCHEMBL25195035 0.85 ABCG2 (1.00) ABCG2CYP3A4MAPTKMT2AKDM4E
SCHEMBL5432735 0.85 ABCG2 (1.00) ABCG2CYP3A4MAPTKMT2AKDM4E
SCHEMBL5432732 0.85 ABCG2 (1.00) ABCG2CYP3A4MAPTKMT2AKDM4E
SCHEMBL30384010 0.85 ABCG2 (1.00) ABCG2CYP3A4MAPTKMT2AKDM4E

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-111269104-B Chalcone analogue and application thereof 温州医科大学 2023-08-04 CN disclosed