SCHEMBL8175342

SCHEMBL8175342

CC(C)=CCc1c(O)c(C)c(O)c2c1OC(c1ccc(O)cc1)CC2=O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.84
KMT2A Q03164 2/20 0.84
MEN1 O00255 1/20 0.84
POLB P06746 1/20 0.84
XBP1 P17861 1/20 0.84
ESR1 P03372 5/20 0.73
ABCG2 Q9UNQ0 5/20 0.73
ESR2 Q92731 3/20 0.73
AKR1B10 O60218 2/20 0.73
AKR1B1 P15121 2/20 0.73
CACNA1G O43497 2/20 0.73
CACNA1H O95180 2/20 0.73
MAOA P21397 1/20 0.73
PDE5A O76074 1/20 0.73
PDPK1 O15530 1/20 0.66
PRKCA P17252 1/20 0.66
BACE1 P56817 1/20 0.66
PRKCQ Q04759 1/20 0.66
MAPK1 P28482 1/20 0.64
ATM Q13315 1/20 0.64

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
SCHEMBL8002908 1.00 MAPT (0.84) MAPTKMT2AMEN1POLBXBP1
SCHEMBL30766285 1.00 MAPT (0.84) MAPTKMT2AMEN1POLBXBP1
SCHEMBL7993201 0.91 MAPT (0.84) MAPTKMT2AMEN1POLBXBP1
Lonchocarpol A SCHEMBL144277 0.91 MAPT (1.00) MAPTKMT2AMEN1POLBXBP1
Lonchocarpol A SCHEMBL144276 0.91 MAPT (1.00) MAPTKMT2AMEN1POLBXBP1
Lonchocarpol A SCHEMBL31091681 0.91 MAPT (1.00) MAPTKMT2AMEN1POLBXBP1
Sophoraflavanone B SCHEMBL1171435 0.84 ESR1 (1.00) MAPTKMT2AMEN1POLBXBP1
Sophoraflavanone B SCHEMBL29396586 0.84 ESR1 (1.00) MAPTKMT2AMEN1POLBXBP1
Sophoraflavanone B SCHEMBL14304885 0.84 ESR1 (1.00) MAPTKMT2AMEN1POLBXBP1
Sophoraflavanone B SCHEMBL147316 0.84 ESR1 (1.00) MAPTKMT2AMEN1POLBXBP1

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
US-6136849-A PURITY; PLANT EXTRACT HOFFMANN JOSEPH J (US) 2000-10-24 US disclosed