SCHEMBL10063288

SCHEMBL10063288

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.76
MAPT P10636 4/20 0.76
MEN1 O00255 3/20 0.76
MAPK1 P28482 3/20 0.76
POLB P06746 2/20 0.76
CYP1A2 P05177 1/20 0.76
CYP3A4 P08684 1/20 0.76
CYP2C9 P11712 1/20 0.76
KDM4E B2RXH2 1/20 0.76
THRB P10828 1/20 0.76
ATM Q13315 1/20 0.76
JUN P05412 1/20 0.72
MME P08473 1/20 0.72
NFKB1 P19838 1/20 0.72
NOD2 Q9HC29 1/20 0.72
ALDH1A1 P00352 2/20 0.71
L3MBTL1 Q9Y468 2/20 0.71
LMNA P02545 2/20 0.71
GAA P10253 2/20 0.71
JAK2 O60674 1/20 0.71

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
SCHEMBL31432815 0.87 MAPT (0.74) KMT2AMAPTMEN1MAPK1POLB
SCHEMBL6851610 0.87 MAPT (1.00) KMT2AMAPTMEN1MAPK1POLB
SCHEMBL24510580 0.87 MAPT (1.00) KMT2AMAPTMEN1MAPK1POLB
SCHEMBL29857079 0.87 MAPT (1.00) KMT2AMAPTMEN1MAPK1POLB
SCHEMBL6852865 0.87 MAPT (1.00) KMT2AMAPTMEN1MAPK1POLB
SCHEMBL22550919 0.84 KMT2A (0.78) KMT2AMAPTMEN1MAPK1POLB
SCHEMBL31432726 0.84 KMT2A (0.78) KMT2AMAPTMEN1MAPK1POLB
Cyclovalone SCHEMBL554418 0.84 MEN1 (1.00) KMT2AMAPTMEN1MAPK1POLB
Cyclovalone SCHEMBL1151847 0.84 MEN1 (1.00) KMT2AMAPTMEN1MAPK1POLB
Cyclovalone SCHEMBL554417 0.84 MEN1 (1.00) KMT2AMAPTMEN1MAPK1POLB

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
WO-2012021692-A1 CURCUMIN ANALOGS AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-02-16 WO disclosed