SCHEMBL28616944

SCHEMBL28616944

COc1cc(/C=C2\CN(C(C)C)C/C(=C\c3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
LMNA P02545 7/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
HTT P42858 4/20 0.67
KDM4E B2RXH2 3/20 0.67
XBP1 P17861 3/20 0.67
CYP3A4 P08684 3/20 0.67
POLB P06746 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
CYP2B6 P20813 2/20 0.67
HPGD P15428 1/20 0.67
MPI P34949 1/20 0.67
RECQL P46063 1/20 0.67
BLM P54132 1/20 0.67
MCL1 Q07820 1/20 0.67
LY96 Q9Y6Y9 2/20 0.55
NPSR1 Q6W5P4 4/20 0.50
RAB9A P51151 5/20 0.48

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
SCHEMBL28616945 1.00 MAPT (0.67) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL31686243 0.91 MEN1 (0.58) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL17899535 0.87 LY96 (0.72) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL22822886 0.85 KMT2A (0.69) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL22550785 0.83 MAPT (0.67) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL22550921 0.83 MAPT (0.70) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL22462345 0.83 MAPT (0.70) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL28618884 0.81 CYP2C9 (0.64) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL28618885 0.81 CYP2C9 (0.64) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL6855774 0.81 MAPT (1.00) MAPTLMNASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113354577-B Monocarbonyl curcuminoid compound and preparation method and application thereof 西南医科大学附属中医医院 2022-08-26 CN disclosed
CN-113354577-A Monocarbonyl curcumin analogue and preparation and application thereof 西南医科大学附属中医医院 2021-09-07 CN disclosed