SCHEMBL3347478

SCHEMBL3347478

COc1ccccc1-c1cccc(C=O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
HSP90AA1 P07900 2/20 0.44
METAP2 P50579 1/20 0.44
GAA P10253 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
HSP90AB1 P08238 1/20 0.43
ERN1 O75460 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
CYP19A1 P11511 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL13697336 0.83 ALDH1A1 (0.37) ALDH1A1HPGDHSP90AA1METAP2GAA
SCHEMBL25390259 0.83 HSP90AA1 (0.43) ALDH1A1HSP90AA1MAPTHSP90AB1ERN1
SCHEMBL30570371 0.83 HSP90AA1 (0.43) ALDH1A1HSP90AA1MAPTHSP90AB1ERN1
SCHEMBL3629826 0.82 ALDH1A1 (0.57) ALDH1A1HPGDHSP90AA1METAP2GAA
SCHEMBL4213590 0.81 ALDH1A1 (0.55) ALDH1A1HPGDHSP90AA1METAP2GAA
SCHEMBL2542645 0.81 ALDH1A1 (0.55) ALDH1A1HPGDHSP90AA1METAP2GAA
SCHEMBL6621471 0.79 ACACA (0.47) ALDH1A1HPGDHSD17B10MAPTERN1
SCHEMBL10751660 0.78 IDO1 (0.40) ALDH1A1HPGDMETAP2GAAHSD17B10
SCHEMBL10372922 0.76 HSP90AA1 (0.57) ALDH1A1HPGDHSP90AA1METAP2GAA
SCHEMBL12445676 0.76 MEN1 (0.43) ALDH1A1HPGDERN1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105143216-A Antibacterial biaromatic derivatives ACTELION PHARMACEUTICALS LTD 2015-12-09 CN disclosed
EP-2010550-B1 POLYMERISATION OF ETHYLENE AND ALPHA-OLEFINS WITH PYRIDINO-IMINOPHENOL COMPLEXES TOTAL RES & TECHNOLOGY FELUY (BE) 2013-06-19 EP disclosed
EP-2010550-B1 POLYMERISATION OF ETHYLENE AND ALPHA-OLEFINS WITH PYRIDINO-IMINOPHENOL COMPLEXES TOTAL RES & TECHNOLOGY FELUY (BE) 2013-06-19 EP disclosed
US-8399582-B2 Polymerisation of ethylene and alpha-olefins with pyridino-iminophenol complexes TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2013-03-19 US disclosed
US-8399582-B2 Polymerisation of ethylene and alpha-olefins with pyridino-iminophenol complexes TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2013-03-19 US disclosed
US-8399582-B2 Polymerisation of ethylene and alpha-olefins with pyridino-iminophenol complexes TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2013-03-19 US disclosed
US-20100160583-A1 Polymerisation of Ethylene and Alpha-Olefins with Pyridino-Iminophenol Complexes TOTAL PETROCHEMICALS RESEARCH FEULY (BE) 2010-06-24 US disclosed
US-20100160583-A1 Polymerisation of Ethylene and Alpha-Olefins with Pyridino-Iminophenol Complexes TOTAL PETROCHEMICALS RESEARCH FEULY (BE) 2010-06-24 US disclosed
US-20100160583-A1 Polymerisation of Ethylene and Alpha-Olefins with Pyridino-Iminophenol Complexes TOTAL PETROCHEMICALS RESEARCH FEULY (BE) 2010-06-24 US disclosed
WO-2007122139-A1 POLYMERISATION OF ETHYLENE AND ALPHA-OLEFINS WITH PYRIDINO-IMINOPHENOL COMPLEXES TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2007-11-01 WO disclosed