SCHEMBL28586233

SCHEMBL28586233

CCOC(COc1ccc(OC)cc1C=O)OCC1CC(C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 2/20 0.45
FFAR4 Q5NUL3 1/20 0.38
BACE1 P56817 1/20 0.37
ERN1 O75460 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
TUBB1 Q9H4B7 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
MAPT P10636 1/20 0.33
JUN P05412 1/20 0.33

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
SCHEMBL28586231 0.86 RAB9A (0.40) RAB9AKDM4EFFAR4BACE1ERN1
SCHEMBL118322 0.83 KDM4E (0.54) RAB9AKDM4EBACE1ERN1TUBB1
SCHEMBL1400196 0.71 KDM4E (0.51) RAB9AKDM4EBACE1ERN1TUBB1
SCHEMBL117197 0.70 ALDH1A1 (0.46) RAB9AKDM4EALDH1A1MAPTPTGDR2
SCHEMBL20488634 0.69 KDM4E (0.59) RAB9AKDM4EERN1TUBB1ALDH1A1
SCHEMBL11886577 0.69 SRC (0.38) RAB9AKDM4EERN1MEN1KMT2A
SCHEMBL3221472 0.68 BACE1 (0.58) RAB9AKDM4EBACE1ERN1TUBB1
SCHEMBL120322 0.68 HPGD (0.47) RAB9AKDM4EERN1MEN1KMT2A
SCHEMBL2559891 0.68 KDM4E (0.59) RAB9AKDM4EBACE1ERN1MEN1
SCHEMBL7573284 0.68 KDM4E (0.56) RAB9AKDM4EBACE1ERN1MEN1

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-112912371-A Flavone derivatives for treating and preventing hepatitis B virus diseases 豪夫迈·罗氏有限公司 2021-06-04 CN disclosed