SCHEMBL13360712

SCHEMBL13360712

CC(C)=CCc1c(O)cc(CO)c2c1OCC(c1ccc(O)cc1)C2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.58
ESR1 P03372 4/20 0.53
ABCG2 Q9UNQ0 3/20 0.53
ESR2 Q92731 2/20 0.53
AKR1B10 O60218 2/20 0.53
AKR1B1 P15121 2/20 0.53
CACNA1G O43497 2/20 0.53
CACNA1H O95180 2/20 0.53
MAOA P21397 1/20 0.53
PDE5A O76074 1/20 0.53
PTPN1 P18031 5/20 0.49
PDPK1 O15530 1/20 0.48
PRKCA P17252 1/20 0.48
BACE1 P56817 1/20 0.48
PRKCQ Q04759 1/20 0.48
TYR P14679 1/20 0.48
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL13360711 0.90 HSP90AA1 (0.70) HSP90AA1ESR1ABCG2ESR2AKR1B10
SCHEMBL24305496 0.83 MAPT (0.60) HSP90AA1ESR1ABCG2ESR2AKR1B10
SCHEMBL13360710 0.81 PTPN1 (0.74) HSP90AA1ESR1ABCG2ESR2AKR1B10
SCHEMBL571650 0.78 HSP90AA1 (0.77) HSP90AA1ESR1ABCG2ESR2AKR1B10
SCHEMBL12961707 0.77 ESR1 (0.84) ESR1ABCG2ESR2AKR1B10AKR1B1
Water SCHEMBL1999608 0.77 HSP90AA1 (0.76) HSP90AA1ESR1ABCG2ESR2AKR1B10
SCHEMBL27013629 0.74 HSP90AA1 (1.00) HSP90AA1ESR1ABCG2ESR2AKR1B10
SCHEMBL30266617 0.74 HSP90AA1 (1.00) HSP90AA1ESR1ABCG2ESR2AKR1B10
SCHEMBL16259003 0.72 ODC1 (0.54) HSP90AA1PDE5APTPN1MAPTKMT2A
Sophoraflavanone B SCHEMBL14304885 0.70 ESR1 (1.00) ESR1ABCG2ESR2AKR1B10AKR1B1

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
US-7723088-B2 DNA sequences involved in prenylflavonoid biosynthesis in hops and their use in modifying prenylflavonoid production in plants NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2010-05-25 US disclosed
US-20090222946-A1 DNA SEQUENCES INVOLVED IN PRENYLFLAVONOID BIOSYNTHESIS IN HOPS AND THEIR USE IN MODIFYING PRENYLFLAVONOID PRODUCTION IN PLANTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2009-09-03 US disclosed