SCHEMBL6561217

SCHEMBL6561217

CO/C=C(/C(=O)O)c1ccccc1CO/N=C(C)/C(=N/OC(C)(C)C)C1CC1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGS2 P35354 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
TRPM5 Q9NZQ8 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6561222 1.00 MAPK1 (0.35) MAPK1SMN1; SMN2TDP1PTGS2SIGMAR1
SCHEMBL6561351 0.91 MAPK1 (0.37) MAPK1SMN1; SMN2TDP1PTGS2HRH3
SCHEMBL6561354 0.91 MAPK1 (0.37) MAPK1SMN1; SMN2TDP1PTGS2HRH3
SCHEMBL6561780 0.89 MAPK1 (0.37) MAPK1SMN1; SMN2TDP1PTGS2HRH3
SCHEMBL6561782 0.89 MAPK1 (0.37) MAPK1SMN1; SMN2TDP1PTGS2HRH3
SCHEMBL6561882 0.88 MAPK1 (0.35) MAPK1SMN1; SMN2TDP1PTGS2SIGMAR1
SCHEMBL6561885 0.88 MAPK1 (0.35) MAPK1SMN1; SMN2TDP1PTGS2SIGMAR1
SCHEMBL6561459 0.81 MAPK1 (0.34) MAPK1SMN1; SMN2TDP1SIGMAR1HRH3
SCHEMBL6561462 0.81 MAPK1 (0.34) MAPK1SMN1; SMN2TDP1SIGMAR1HRH3
SCHEMBL6560523 0.75 HIF1A (0.48) MAPK1SMN1; SMN2TDP1PTGS2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1120403-B1 Aryl and heteroarylcyclopropyl oxime ethers and their use as fungicides and insecticides DOW AGROSCIENCES LLC (US) 2004-03-17 EP disclosed
US-6313339-B1 Aryl and heteroarylcylopropyl oxime ethers and their use as fungicides and insecticides ROHM AND HAAS ASIA, INC. 2001-11-06 US disclosed
EP-1120403-A2 Aryl and heteroarylcyclopropyl oxime ethers and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 2001-08-01 EP disclosed