SCHEMBL9040273

SCHEMBL9040273

COC=C(C(=O)OC)c1cccnc1Oc1cccc(Oc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 3/20 0.51
MAPK8 P45983 4/20 0.50
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.46

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
SCHEMBL9040269 1.00 TDP1 (0.58) TDP1ALDH1A1MAPK8GAAMAPT
SCHEMBL9487912 0.94 TDP1 (0.65) TDP1ALDH1A1MAPK8GAAMAPT
SCHEMBL10517647 0.92 TDP1 (0.50) TDP1ALDH1A1MAPK8GAAMAPT
SCHEMBL10517652 0.92 TDP1 (0.50) TDP1ALDH1A1MAPK8GAAMAPT
SCHEMBL10517640 0.92 TDP1 (0.50) TDP1ALDH1A1MAPK8GAAMAPT
SCHEMBL9643568 0.91 TDP1 (0.49) TDP1ALDH1A1MAPK8GAAMAPT
SCHEMBL9643587 0.91 TDP1 (0.49) TDP1ALDH1A1MAPK8GAAMAPT
SCHEMBL9487093 0.90 MAPK8 (0.50) TDP1ALDH1A1MAPK8GAAMAPT
SCHEMBL9487096 0.90 MAPK8 (0.50) TDP1ALDH1A1MAPK8GAAMAPT
SCHEMBL9487088 0.90 MAPK8 (0.50) TDP1ALDH1A1MAPK8GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1146867-A None JP disclosed
EP-0312243-B1 Methyl 2-[2-(3-substituted phenoxy)pyridin-3-yl]-3-methoxypropenoatesand their use as fungicides ZENECA LTD (GB) 1996-08-07 EP disclosed
US-5198444-A Methyl α-(2-substituted)pyrid-3-yl-β-methoxyacrylates, compositions containing them and their use as fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-30 US disclosed
US-5158954-A For agriculture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-27 US disclosed
US-5008276-A Plants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-16 US disclosed
JP-H01146867-A FUNGICIDAL COMPOUND, ITS PRODUCTION AND FUNGICIDAL COMPOSITION USING THE SAME IMPERIAL CHEM IND PLC <ICI> 1989-06-08 JP disclosed
EP-0312243-A2 Methyl 2-[2-(3-substituted phenoxy)pyridin-3-yl]-3-methoxypropenoatesand their use as fungicides ZENECA LIMITED (GB) 1989-04-19 EP disclosed