SCHEMBL17459302

SCHEMBL17459302

COC(=O)C(O)c1ccc(Br)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
DAO P14920 1/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
WRN Q14191 1/20 0.36
NPSR1 Q6W5P4 3/20 0.35
PPARG P37231 2/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
HSD17B2 P37059 1/20 0.35
GSK3B P49841 2/20 0.34
GAA P10253 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPK1 P28482 2/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL1164590 0.83 POLB (0.41) CES2CES1DAOKMT2AMEN1
SCHEMBL20473166 0.82 CES2 (0.38) CES2CES1DAOKMT2AMEN1
SCHEMBL31176820 0.82 CES2 (0.38) CES2CES1DAOKMT2AMEN1
SCHEMBL4245645 0.81 CES2 (0.37) CES2CES1DAOKMT2AMEN1
SCHEMBL23326703 0.80 NPSR1 (0.35) CES2CES1DAOKMT2AMEN1
SCHEMBL16664426 0.80 ALOX5 (0.44) DAOKMT2AMEN1POLBNPSR1
SCHEMBL2481845 0.80 ALOX5 (0.44) DAOKMT2AMEN1POLBNPSR1
SCHEMBL17459402 0.79 GABBR2 (0.41) DAOKMT2AMEN1POLBWRN
SCHEMBL17459279 0.77 DAO (0.47) CES2CES1DAOKMT2APOLB
SCHEMBL17459305 0.71 CES2 (0.38) CES2CES1NPSR1GSK3BALDH1A1

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
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed