SCHEMBL4430097

SCHEMBL4430097

CCOP(=O)(OCC)c1c(C#N)c(=O)oc2cc(O)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 6/20 0.58
ALPI P09923 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
PDE2A O00408 1/20 0.42
NQO1 P15559 1/20 0.41
AKR1B1 P15121 1/20 0.41
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL4430101 0.84 HSD17B3 (0.62) HSD17B3ALPIKDM4EALDH1A1GLA
SCHEMBL1133508 0.74 HSD17B3 (1.00) HSD17B3ALPIPDE2AMAOAMAOB
SCHEMBL23051357 0.73 MIF (0.55) HSD17B3KDM4EALDH1A1GLAGAA
SCHEMBL3306142 0.69 HSD17B3 (0.64) HSD17B3KDM4EALDH1A1GLAGAA
SCHEMBL11879798 0.68 ALDH1A1 (0.59) HSD17B3KDM4EALDH1A1GLAGAA
SCHEMBL4633658 0.67 TSHR (0.41) ALDH1A1MAPTCA9NPSR1
SCHEMBL11874784 0.66 HSD17B3 (0.65) HSD17B3KDM4EALDH1A1GLAGAA
SCHEMBL6276869 0.65 NQO1 (0.57) HSD17B3KDM4EALDH1A1GLAGAA
SCHEMBL27817043 0.64 HSD17B3 (0.65) HSD17B3KDM4EALDH1A1GLAGAA
SCHEMBL15842860 0.64 MAOB (0.72) HSD17B3ALPIKDM4EALDH1A1GLA

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