SCHEMBL4739646

SCHEMBL4739646

COc1ccc(C(=O)C=C(c2ccc(Cl)cc2)N2CCOCC2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.52
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48

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
Dimethomorph SCHEMBL676762 0.83 SMN1; SMN2 (0.57) ALDH1A1HPGDSMN1; SMN2KMT2AKDM4E
Dimethomorph SCHEMBL54189 0.83 SMN1; SMN2 (0.57) ALDH1A1HPGDSMN1; SMN2KMT2AKDM4E
Dimethomorph SCHEMBL22863 0.83 SMN1; SMN2 (0.57) ALDH1A1HPGDSMN1; SMN2KMT2AKDM4E
Dimethomorph SCHEMBL29564213 0.83 SMN1; SMN2 (0.57) ALDH1A1HPGDSMN1; SMN2KMT2AKDM4E
Dimethomorph SCHEMBL29377277 0.83 SMN1; SMN2 (0.57) ALDH1A1HPGDSMN1; SMN2KMT2AKDM4E
SCHEMBL9367620 0.78 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2KMT2AKDM4E
SCHEMBL8433091 0.78 SMN1; SMN2 (0.57) ALDH1A1HPGDSMN1; SMN2KMT2AKDM4E
Dimethomorph SCHEMBL28278511 0.77 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2KMT2AKDM4E
SCHEMBL8035736 0.76 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2KMT2AHTT
SCHEMBL8035738 0.76 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008092818-A2 PESTICIDAL MIXTURES BASF SE (DE) 2008-08-07 WO disclosed