SCHEMBL4430101

SCHEMBL4430101

CCP(=O)(CC)c1c(C#N)c(=O)oc2cc(O)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.62
PDE2A O00408 1/20 0.44
NQO1 P15559 1/20 0.44
MIF P14174 1/20 0.43
CA9 Q16790 1/20 0.43
PKLR P30613 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALPI P09923 1/20 0.42
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
MAOA P21397 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MGAM O43451 1/20 0.42
NR1I2 O75469 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL4430097 0.84 HSD17B3 (0.58) HSD17B3PDE2ANQO1MIFCA9
SCHEMBL1133508 0.77 HSD17B3 (1.00) HSD17B3PDE2AALPIESR1ESR2
SCHEMBL3306142 0.71 HSD17B3 (0.64) HSD17B3PDE2ANQO1MIFCA9
SCHEMBL11874784 0.69 HSD17B3 (0.65) HSD17B3CA9MAOAKDM4EMEN1
SCHEMBL10789370 0.66 ESR2 (0.64) HSD17B3PDE2ANQO1CA9PKLR
SCHEMBL11880763 0.66 ESR2 (0.59) HSD17B3PDE2AESR1ESR2MAOA
SCHEMBL11879798 0.66 ALDH1A1 (0.59) HSD17B3MIFNPSR1MAOAKDM4E
SCHEMBL3338122 0.66 ALPI (0.66) HSD17B3ALPIMAOAMAOB
SCHEMBL31366988 0.65 HSD17B3 (1.00) HSD17B3PDE2ACA9PKLRNPSR1
SCHEMBL591899 0.65 HSD17B3 (1.00) HSD17B3PDE2ACA9PKLRNPSR1

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-2134858-A1 METHODS OF DETERMINING TOTAL PON1 LEVEL Yeda Research And Development Company Limited (IL) 2009-12-23 EP claimed
WO-2008111062-A1 METHODS OF DETERMINING TOTAL PON1 LEVEL YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2008-09-18 WO claimed