SCHEMBL29198484

SCHEMBL29198484

COc1ccc(C(=O)C=Cc2ccc(OC)c(OC)c2O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.70
TNFRSF1A P19438 2/20 0.67
MAOB P27338 1/20 0.63
KRAS P01116 1/20 0.61
MCL1 Q07820 1/20 0.61
GABRA3 P34903 1/20 0.59
GABRA2 P47869 1/20 0.59
GABRB2 P47870 1/20 0.59
CYP1A1 P04798 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP1B1 Q16678 1/20 0.59
DPP4 P27487 2/20 0.58
PTPN1 P18031 1/20 0.58
MAPT P10636 3/20 0.57
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 1/20 0.57
KDM4E B2RXH2 1/20 0.57
ATM Q13315 1/20 0.57

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
SCHEMBL29198483 1.00 ABCG2 (0.70) ABCG2TNFRSF1AMAOBKRASMCL1
SCHEMBL633526 0.90 ABCG2 (0.72) ABCG2MAOBCYP1A1CYP1A2CYP2D6
SCHEMBL633525 0.90 ABCG2 (0.72) ABCG2MAOBCYP1A1CYP1A2CYP2D6
SCHEMBL20608569 0.89 TNFRSF1A (0.70) ABCG2TNFRSF1AMAOBMCL1GABRA3
SCHEMBL27741904 0.88 ABCG2 (0.68) ABCG2TNFRSF1AMAOBCYP1A1CYP1A2
SCHEMBL21527717 0.88 GABRA3 (0.68) ABCG2TNFRSF1AMAOBKRASMCL1
SCHEMBL27741903 0.88 ABCG2 (0.68) ABCG2TNFRSF1AMAOBCYP1A1CYP1A2
SCHEMBL28168600 0.86 ABCG2 (0.66) ABCG2TNFRSF1ACYP1A1CYP1A2CYP2D6
SCHEMBL28168599 0.86 ABCG2 (0.66) ABCG2TNFRSF1ACYP1A1CYP1A2CYP2D6
SCHEMBL28664484 0.85 TNFRSF1A (0.65) ABCG2TNFRSF1AMAOBKRASMCL1

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-114149399-B Method for synthesizing fisetin 陕西理工大学 2024-04-19 CN disclosed