SCHEMBL20036239

SCHEMBL20036239

COc1cc(O)c(C(C)O)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.49
CYP3A4 P08684 2/20 0.49
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ERN1 O75460 1/20 0.49
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL31439746 0.88 ALDH1A1 (0.43) MAPK1CYP3A4USP2SMN1; SMN2ERN1
SCHEMBL31439156 0.86 MAPK1 (0.50) MAPK1CYP3A4USP2SMN1; SMN2ERN1
SCHEMBL25955631 0.86 MAPK1 (0.50) MAPK1CYP3A4USP2SMN1; SMN2ERN1
SCHEMBL21711193 0.83 MAPK1 (0.47) MAPK1CYP3A4USP2SMN1; SMN2ERN1
SCHEMBL19508704 0.83 MAPK1 (0.47) MAPK1CYP3A4USP2SMN1; SMN2ERN1
SCHEMBL21722485 0.81 MAOA (0.39) MAPK1CYP3A4USP2SMN1; SMN2ERN1
SCHEMBL27612695 0.80 CYP3A4 (0.53) MAPK1CYP3A4USP2SMN1; SMN2ERN1
SCHEMBL22548285 0.79 CYP3A4 (0.54) CYP3A4MAPTTDP1
SCHEMBL20148897 0.79 ALDH1A1 (0.48) MAPK1CYP3A4USP2SMN1; SMN2ERN1
SCHEMBL21275478 0.79 ERN1 (0.56) MAPK1CYP3A4USP2SMN1; SMN2ERN1

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
EP-2954037-B1 REDUCED SODIUM FOOD PRODUCTS GEN MILLS INC (US) 2018-04-11 EP disclosed