SCHEMBL13360710

SCHEMBL13360710

CC(C)=CCc1c(O)cc2c(c1O)C(=O)C(c1ccc(O)cc1)CO2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.74
CACNA1H O95180 5/20 0.61
ESR1 P03372 3/20 0.61
CACNA1G O43497 2/20 0.61
MAPT P10636 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPK1 P28482 1/20 0.61
ATM Q13315 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
GABRA1 P14867 1/20 0.58
GABRB2 P47870 1/20 0.58
HSP90AA1 P07900 1/20 0.55
ALOX12 P18054 1/20 0.53
TP53 P04637 1/20 0.52
ACHE P22303 1/20 0.52
PTGS2 P35354 1/20 0.52
MDM2 Q00987 1/20 0.52
ESR2 Q92731 2/20 0.50
AKR1B10 O60218 1/20 0.50
AKR1B1 P15121 1/20 0.50

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
SCHEMBL30523853 0.87 PTPN1 (0.81) PTPN1CACNA1HESR1CACNA1GMAPT
SCHEMBL5614193 0.85 PTPN1 (1.00) PTPN1CACNA1HESR1CACNA1GMAPT
SCHEMBL29375421 0.85 PTPN1 (1.00) PTPN1CACNA1HESR1CACNA1GMAPT
SCHEMBL13360711 0.83 HSP90AA1 (0.70) PTPN1CACNA1HESR1CACNA1GMAPT
SCHEMBL24305496 0.82 MAPT (0.60) PTPN1CACNA1HESR1CACNA1GMAPT
SCHEMBL13360712 0.81 HSP90AA1 (0.58) PTPN1CACNA1HESR1CACNA1GMAPT
SCHEMBL30288230 0.80 PTPN1 (0.81) PTPN1GABRA1GABRB2HSP90AA1ACHE
SCHEMBL22922168 0.79 GABRA1 (0.66) PTPN1CACNA1HESR1CACNA1GMAPT
SCHEMBL30634928 0.79 GABRA1 (0.66) PTPN1CACNA1HESR1CACNA1GMAPT
SCHEMBL27013458 0.79 GABRA1 (0.66) PTPN1CACNA1HESR1CACNA1GMAPT

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