SCHEMBL9163395

SCHEMBL9163395

COc1ccccc1C(OC)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
POLB P06746 2/20 0.51
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
FABP4 P15090 1/20 0.51
FABP5 Q01469 1/20 0.51
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA4 P22748 1/20 0.44

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
SCHEMBL9445847 1.00 KMT2A (0.53) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL9445850 1.00 KMT2A (0.53) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL11556826 0.88 FABP4 (0.49) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL5041723 0.84 FABP4 (0.46) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL1631629 0.84 POLB (0.55) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL29430260 0.84 POLB (0.55) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL10369275 0.84 KMT2A (0.49) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL9445845 0.81 LMNA (0.45) L3MBTL1FABP4FABP5LMNAALDH1A1
SCHEMBL9445842 0.81 LMNA (0.45) L3MBTL1FABP4FABP5LMNAALDH1A1
SCHEMBL9445841 0.81 LMNA (0.45) L3MBTL1FABP4FABP5LMNAALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111116338-A Synthesis method of 1- (4-hydroxy-3, 5-dimethoxyphenyl) ethane-1-ketone 苏州汉德创宏生化科技有限公司 2020-05-08 CN claimed
CN-111116338-A Synthesis method of 1- (4-hydroxy-3, 5-dimethoxyphenyl) ethane-1-ketone 苏州汉德创宏生化科技有限公司 2020-05-08 CN disclosed
US-5430060-A Aldose reductase inhibitor ZENECA LIMITED (GB) 1995-07-04 US disclosed
US-5270342-A Acetamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US disclosed
EP-0469887-A1 Acetamide derivatives ZENECA LIMITED (GB) 1992-02-05 EP disclosed