SCHEMBL28686647

SCHEMBL28686647

COC1(O)C(=O)c2c(ccc(O)c2O)OC1(O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
RECQL P46063 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
BCL2 P10415 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
MAOA P21397 1/20 0.31
APEX1 P27695 1/20 0.31
MAPK1 P28482 1/20 0.31
DAPK1 P53355 1/20 0.31
MCL1 Q07820 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1B1 Q16678 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL27567584 0.88 MAPT (0.40) RIPK1MEN1KMT2AKDM4EMAPT
SCHEMBL30658588 0.82 KDM4E (0.35) MEN1KMT2AKDM4EMAPTRECQL
SCHEMBL1068646 0.82 KDM4E (0.35) MEN1KMT2AKDM4EMAPTRECQL
SCHEMBL27586967 0.82 ALDH1A1 (0.41) RIPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL725961 0.80 MEN1 (0.31) RIPK1MEN1KMT2AKDM4EMAPT
SCHEMBL29287472 0.71 PTGS2 (0.38) MEN1KMT2AKDM4EMAPTRECQL
SCHEMBL28574006 0.69 MEN1 (0.32) MEN1KMT2AKDM4EMAPTCYP3A4
SCHEMBL2730653 0.68 PTPN1 (0.34) MEN1KMT2AKDM4EMAPTRECQL
SCHEMBL27441448 0.68 PLK1 (0.40) RIPK1MEN1KMT2AKDM4EMAPT
Flavanone SCHEMBL3438656 0.67 MAOB (0.53) MEN1KMT2AKDM4EMAPTCYP3A4

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-110483541-B Isopentenyl flavonoid compound and preparation method and application thereof 河南中医药大学 2021-08-24 CN disclosed