SCHEMBL7806145

SCHEMBL7806145

CO/C=C(/Oc1ccc(Cl)cc1CC#N)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 5/20 0.36
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SLC6A4 P31645 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
HTR2A P28223 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP2A6 P11509 1/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL7806146 1.00 MEN1 (0.36) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL7804558 0.86 MEN1 (0.35) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL7804554 0.86 MEN1 (0.35) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL7689663 0.85 MAPT (0.48) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL7689662 0.85 MAPT (0.48) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL7803822 0.84 MEN1 (0.38) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL7803819 0.84 MEN1 (0.38) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL7687261 0.81 SMN1; SMN2 (0.42) MEN1KMT2AMAPTLMNATHRB
SCHEMBL7795816 0.81 SMN1; SMN2 (0.42) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL7795813 0.81 SMN1; SMN2 (0.42) MEN1KMT2AMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097117-A2 ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD. (GB) 2001-05-09 EP disclosed
WO-2000003975-A2 ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD. (GB) 2000-01-27 WO disclosed