SCHEMBL5263117

SCHEMBL5263117

CCOc1ccc(CC=O)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
CYP19A1 P11511 1/20 0.42
ACACB O00763 7/20 0.42
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
KDM4E B2RXH2 2/20 0.36
CNR1 P21554 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34

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
SCHEMBL249158 0.83 NNMT (0.49) MAPTACACBKDM4E
SCHEMBL16935051 0.81 ACACB (0.43) MAPTACACBPIK3CDPIK3CAPIK3CB
SCHEMBL12141547 0.80 MAPT (0.52) MAPTCYP19A1ACACBPIK3CDPIK3CA
SCHEMBL4012600 0.79 MAPT (0.49) MAPTCYP19A1ACACBKDM4EADORA2A
SCHEMBL3719442 0.78 ACACB (0.40) MAPTCYP19A1ACACBKDM4E
SCHEMBL16935044 0.77 PTGES (0.35) MAPTACACBKDM4E
SCHEMBL508250 0.77 MAPT (0.49) MAPTCYP19A1ACACBPIK3CDPIK3CA
SCHEMBL933951 0.77 KDM4E (0.57) MAPTCYP19A1ACACBKDM4E
SCHEMBL20784571 0.77 MAPT (0.49) MAPTCYP19A1ACACBPIK3CDPIK3CA
SCHEMBL21909732 0.77 MAPT (0.49) MAPTCYP19A1ACACBPIK3CDPIK3CA

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
EP-1802632-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY Dow AgroSciences LLC (US) 2007-07-04 EP disclosed
WO-2006047397-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2006-05-04 WO disclosed