SCHEMBL13520173

SCHEMBL13520173

CC(=O)OB(OC(C)=O)OC(=O)c1cn(C2CC2)c2c(O)c(F)ccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.41
TOP2B Q02880 6/20 0.41
ADRB2 P07550 1/20 0.38
KCNH2 Q12809 4/20 0.36
GSK3B P49841 1/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
OPRM1 P35372 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
OPRD1 P41143 1/20 0.36
KDM4E B2RXH2 2/20 0.35
PRKD3 O94806 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CLK2 P49760 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PIK3CD O00329 1/20 0.35

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
SCHEMBL2601633 0.88 KCNH2 (0.44) TOP2ATOP2BKCNH2GSK3BALDH1A1
SCHEMBL115123 0.82 ADRB2 (0.54) TOP2ATOP2BADRB2KCNH2ALDH1A1
SCHEMBL13944952 0.81 KCNH2 (0.40) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL143295 0.80 TOP2A (0.60) TOP2ATOP2BKCNH2GSK3BALDH1A1
SCHEMBL2601622 0.80 KCNH2 (0.44) TOP2ATOP2BKCNH2GSK3BALDH1A1
SCHEMBL2108874 0.79 KDM4E (0.49) TOP2ATOP2BADRB2KCNH2GSK3B
SCHEMBL2825321 0.78 KCNH2 (0.45) TOP2ATOP2BKCNH2GSK3BALDH1A1
SCHEMBL13945289 0.78 ADRB2 (0.43) TOP2ATOP2BADRB2KCNH2GSK3B
SCHEMBL13315605 0.77 KCNH2 (0.42) TOP2ATOP2BADRB2KCNH2GSK3B
SCHEMBL13315596 0.76 ALDH1A1 (0.47) TOP2ATOP2BADRB2ALDH1A1POLB

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
WO-2010002415-A1 TREATMENT OF ANTIBIOTIC-RESISTANT BACTERIA INFECTION TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2010-01-07 WO disclosed
WO-2009023473-A2 ANTIMICROBIAL PARENTERAL FORMULATION TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-02-19 WO disclosed