SCHEMBL28050877

SCHEMBL28050877

CCc1ccc(-c2cc(=O)c3ccc(C)cc3o2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.62
TNKS O95271 2/20 0.58
PARP1 P09874 1/20 0.58
TNKS2 Q9H2K2 1/20 0.58
PARP2 Q9UGN5 1/20 0.58
CSNK2A2 P19784 3/20 0.56
CSNK2B P67870 3/20 0.56
CSNK2A1 P68400 3/20 0.56
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP3A4 P08684 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
QPCT Q16769 2/20 0.53
MPO P05164 1/20 0.52
CYP19A1 P11511 1/20 0.52
MAOA P21397 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL28050878 0.88 MAOB (0.77) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL28050773 0.82 PLA2G2A (0.73) MAOBTNKSPARP1TNKS2PARP2
7-Methylflavone SCHEMBL9137885 0.82 TP53 (0.77) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL10454554 0.81 CSNK2A2 (0.67) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL28154767 0.80 MAOB (0.86) MAOBTNKSTNKS2CSNK2A2CSNK2B
SCHEMBL12757263 0.77 CSNK2A2 (0.74) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL12386456 0.76 CSNK2A2 (0.68) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL12386457 0.76 CSNK2A2 (0.58) CSNK2A2CSNK2BCSNK2A1KDM4EALDH1A1
SCHEMBL10024074 0.75 CSNK2A2 (0.82) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL22032735 0.74 QPCT (0.69) MAOBTNKSPARP1TNKS2PARP2

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-105175375-B The method that the acetylenic ketone protected using acetoxyl group prepares Benzofurantone compound 陕西师范大学 2017-07-11 CN disclosed
CN-105175375-A Method for preparing benzopyrone compounds through adopting acetoxy protected alkynyl ketone UNIV SHAANXI NORMAL 2015-12-23 CN disclosed