SCHEMBL28856262

SCHEMBL28856262

COC1=CC(=O)C(OC)=CC1=O.[No]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.59
HKDC1 Q2TB90 2/20 0.54
KDM4E B2RXH2 5/20 0.50
CYP3A4 P08684 5/20 0.50
MAPT P10636 5/20 0.50
MEN1 O00255 3/20 0.50
TP53 P04637 3/20 0.50
KMT2A Q03164 3/20 0.50
USP2 O75604 3/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALOX5 P09917 8/20 0.48
ALOX15 P16050 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
THRB P10828 1/20 0.48
BLM P54132 1/20 0.48
PTPN1 P18031 1/20 0.48
IDO1 P14902 1/20 0.48

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
SCHEMBL49737 0.97 ERBB2 (0.62) ERBB2HKDC1KDM4ECYP3A4MAPT
SCHEMBL28259188 0.94 ERBB2 (0.59) ERBB2HKDC1KDM4ECYP3A4MAPT
SCHEMBL3417111 0.84 HKDC1 (0.56) ERBB2HKDC1KDM4ECYP3A4MAPT
Coprinin SCHEMBL3416504 0.84 ERBB2 (0.50) ERBB2HKDC1KDM4ECYP3A4MAPT
SCHEMBL23751954 0.82 ERBB2 (0.48) ERBB2HKDC1KDM4ECYP3A4MAPT
SCHEMBL17261224 0.82 ERBB2 (0.48) ERBB2HKDC1KDM4ECYP3A4MAPT
SCHEMBL30092600 0.78 ERBB2 (0.45) ERBB2HKDC1KDM4ECYP3A4MAPT
SCHEMBL11229232 0.78 ERBB2 (0.45) ERBB2HKDC1KDM4ECYP3A4MAPT
SCHEMBL16520808 0.77 ERBB2 (0.43) ERBB2HKDC1KDM4ECYP3A4MAPT
SCHEMBL11025815 0.75 MAPT (0.50) ERBB2HKDC1KDM4ECYP3A4MAPT

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
CN-107551089-B A kind of medicine for treating hyperlipidemia and preparation method thereof and detection method 新疆阿勒泰地区哈萨克医医院 2018-05-04 CN disclosed
CN-107551089-A A kind of medicine for treating hyperlipidemia and preparation method thereof and detection method 新疆阿勒泰地区哈萨克医医院 2018-01-09 CN disclosed