SCHEMBL3306142

SCHEMBL3306142

N#Cc1c(C#P=O)c2ccc(O)cc2oc1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 4/20 0.64
PDE2A O00408 1/20 0.49
ESR1 P03372 3/20 0.48
ESR2 Q92731 3/20 0.48
MIF P14174 1/20 0.47
CA9 Q16790 1/20 0.47
PKLR P30613 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
GLA P06280 2/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
MAOA P21397 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MGAM O43451 1/20 0.46

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
SCHEMBL1133508 0.78 HSD17B3 (1.00) HSD17B3PDE2AESR1ESR2MAOA
SCHEMBL15842480 0.72 HSD17B3 (0.53) HSD17B3KDM4EALDH1A1GAAHPGD
SCHEMBL4430101 0.71 HSD17B3 (0.62) HSD17B3PDE2AESR1ESR2MIF
SCHEMBL591248 0.70 HSD17B3 (0.51) HSD17B3PDE2AESR1ESR2MIF
SCHEMBL11874784 0.70 HSD17B3 (0.65) HSD17B3CA9KDM4EALDH1A1GLA
SCHEMBL10762560 0.69 KMT2A (0.59) HSD17B3PDE2AESR1ESR2CA9
SCHEMBL4430097 0.69 HSD17B3 (0.58) HSD17B3PDE2AMIFCA9PKLR
SCHEMBL10793877 0.67 PDE2A (0.62) HSD17B3PDE2AESR1ESR2CA9
SCHEMBL7599634 0.67 KDM4E (0.62) HSD17B3MIFCA9KDM4EALDH1A1
SCHEMBL6961168 0.67 ALDH1A1 (0.55) HSD17B3CA9KDM4EALDH1A1HPGD

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
US-20100099118-A1 METHODS OF DETERMINING TOTAL PON1 LEVEL YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2010-04-22 US disclosed