SCHEMBL29857079

SCHEMBL29857079

COc1cc(/C=C2\CC/C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
MAPK1 P28482 3/20 1.00
POLB P06746 3/20 1.00
CYP3A4 P08684 2/20 1.00
KDM4E B2RXH2 2/20 1.00
CYP1A2 P05177 1/20 1.00
CYP2C9 P11712 1/20 1.00
THRB P10828 1/20 1.00
ATM Q13315 1/20 1.00
JUN P05412 1/20 0.89
MME P08473 1/20 0.89
NFKB1 P19838 1/20 0.89
NOD2 Q9HC29 1/20 0.89
LMNA P02545 4/20 0.76
GAA P10253 3/20 0.76
L3MBTL1 Q9Y468 2/20 0.76
ALDH1A1 P00352 2/20 0.76
JAK2 O60674 1/20 0.76

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
SCHEMBL6852865 1.00 MAPT (1.00) MAPTMEN1KMT2AMAPK1POLB
SCHEMBL24510580 1.00 MAPT (1.00) MAPTMEN1KMT2AMAPK1POLB
SCHEMBL6851610 1.00 MAPT (1.00) MAPTMEN1KMT2AMAPK1POLB
Cyclovalone SCHEMBL1151847 0.94 MEN1 (1.00) MAPTMEN1KMT2AMAPK1POLB
Cyclovalone SCHEMBL29929726 0.94 MEN1 (1.00) MAPTMEN1KMT2AMAPK1POLB
Cyclovalone SCHEMBL554417 0.94 MEN1 (1.00) MAPTMEN1KMT2AMAPK1POLB
Cyclovalone SCHEMBL554418 0.94 MEN1 (1.00) MAPTMEN1KMT2AMAPK1POLB
SCHEMBL27912169 0.92 MAPT (0.84) MAPTMEN1KMT2AMAPK1POLB
SCHEMBL27912181 0.92 MAPT (0.84) MAPTMEN1KMT2AMAPK1POLB
SCHEMBL1524309 0.90 MAPT (0.82) MAPTMEN1KMT2AMAPK1POLB

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-112972441-B Application of monocarbonyl curcumin compound in preparation of medicine for preventing and treating periodontitis 温州医科大学附属口腔医院 2022-08-23 CN disclosed