SCHEMBL31578227

SCHEMBL31578227

O=C1c2c(O)cc(O)c(O)c2OC(c2ccc(Oc3cc(O)c(O)cc3[C@H]3Oc4c(O)c(O)cc(O)c4C(=O)C3O)c(O)c2)C1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.46
SOST Q9BQB4 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SYNJ2 O15056 3/20 0.44
XDH P47989 2/20 0.43
APP P05067 1/20 0.43
IDO1 P14902 1/20 0.41

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
SCHEMBL5073942 0.82 RECQL (0.65) RECQLSOSTMEN1KMT2AKDM4E
SCHEMBL31162504 0.82 RECQL (0.65) RECQLSOSTMEN1KMT2AKDM4E
SCHEMBL3191589 0.82 RECQL (0.65) RECQLSOSTMEN1KMT2AKDM4E
SCHEMBL24433090 0.72 SYNJ2 (0.67) RECQLSOSTMEN1KMT2AKDM4E
SCHEMBL29574970 0.72 SYNJ2 (0.67) RECQLSOSTMEN1KMT2AKDM4E
SCHEMBL24433094 0.72 SYNJ2 (0.67) RECQLSOSTMEN1KMT2AKDM4E
SCHEMBL31612512 0.66 SYNJ2 (0.79) RECQLSOSTMEN1KMT2AKDM4E
Tamaraxetin SCHEMBL16887881 0.66 CYP3A4 (0.73) RECQLSOSTMEN1KMT2AKDM4E
Tamaraxetin SCHEMBL18235875 0.66 CYP3A4 (0.73) RECQLSOSTMEN1KMT2AKDM4E
Tamaraxetin SCHEMBL30256267 0.66 CYP3A4 (0.73) RECQLSOSTMEN1KMT2AKDM4E

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
US-20250161394-A1 Compositions Comprising Kavalactones NATURAL EXTRACTION SYS LLC (US) 2025-05-22 US disclosed