Datiscetin

Datiscetin

SCHEMBL29737517

O=c1c(O)c(-c2ccccc2O)oc2cc(O)cc(O)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 1.00
MEN1 O00255 9/20 0.78
KMT2A Q03164 9/20 0.78
CYP3A4 P08684 7/20 0.78
CYP2C9 P11712 7/20 0.78
MAPT P10636 6/20 0.78
FTO Q9C0B1 6/20 0.78
XDH P47989 6/20 0.78
KDM4E B2RXH2 5/20 0.78
ALOX15 P16050 5/20 0.78
HSD17B10 Q99714 5/20 0.78
TP53 P04637 5/20 0.78
ALDH1A1 P00352 4/20 0.78
HPGD P15428 4/20 0.78
CSNK2A2 P19784 4/20 0.78
DAPK1 P53355 4/20 0.78
BACE1 P56817 4/20 0.78
CSNK2B P67870 4/20 0.78
CSNK2A1 P68400 4/20 0.78
GLO1 Q04760 4/20 0.78

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
Datiscetin SCHEMBL30822630 1.00 APP (1.00) APPMEN1KMT2ACYP3A4CYP2C9
Datiscetin SCHEMBL43916 1.00 APP (1.00) APPMEN1KMT2ACYP3A4CYP2C9
SCHEMBL29612759 0.90 APP (0.81) APPMEN1KMT2ACYP3A4CYP2C9
Morin SCHEMBL19984 0.88 MEN1 (1.00) APPMEN1KMT2ACYP3A4CYP2C9
Morin SCHEMBL10335390 0.88 MEN1 (1.00) APPMEN1KMT2ACYP3A4CYP2C9
Morin SCHEMBL29435805 0.88 MEN1 (1.00) APPMEN1KMT2ACYP3A4CYP2C9
Morin SCHEMBL29929115 0.88 MEN1 (1.00) APPMEN1KMT2ACYP3A4CYP2C9
SCHEMBL23207781 0.87 TRPC5 (1.00) APPMEN1KMT2ACYP3A4CYP2C9
SCHEMBL29359901 0.87 TRPC5 (1.00) APPMEN1KMT2ACYP3A4CYP2C9
Datiscetin SCHEMBL15675904 0.87 MEN1 (0.75) APPMEN1KMT2ACYP3A4CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023064318-A1 BIPHASIC COMPOSITIONS COMPRISING ONE OR BOTH OF CARBONATE AND PHOSPHATE Natural Extraction Systems, LLC (US) 2023-04-20 WO claimed
CN-114887000-B Medicine application of lemongrass 云南农业大学 2023-09-26 CN disclosed
CN-114887000-A Application of lemongrass medicine 云南农业大学 2022-08-12 CN disclosed