SCHEMBL9726421

SCHEMBL9726421

[CH]=CC(=O)NCCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.45
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PLA2G2A P14555 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
PRMT1 Q99873 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
FAAH O00519 2/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
ADRA1A P35348 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
APEX1 P27695 1/20 0.33
BBOX1 O75936 1/20 0.33
SLC22A6 Q4U2R8 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
SCHEMBL9726453 0.86 PRMT1 (0.48) LMNAL3MBTL1KDM4EPRMT1ADRA1A
SCHEMBL18752932 0.78 ECE1 (0.46) ECE1LMNAL3MBTL1PLA2G2AKDM4E
SCHEMBL35714 0.76 TSHR (0.54) ECE1LMNAPLA2G2AKDM4EHTT
SCHEMBL543786 0.74 ALDH1A1 (0.52) ECE1LMNAEGLN1
SCHEMBL21836734 0.74 ALDH1A1 (0.52) ECE1LMNAEGLN1
SCHEMBL543785 0.74 ALDH1A1 (0.52) ECE1LMNAEGLN1
SCHEMBL14493747 0.74 CYP2C9 (0.50) ECE1LMNAL3MBTL1PLA2G2AKDM4E
SCHEMBL2656608 0.73
SCHEMBL20657235 0.73 ECE1 (0.42) ECE1L3MBTL1PLA2G2AKDM4EHTT
SCHEMBL25146405 0.71 ECE1 (0.41) ECE1LMNAL3MBTL1PLA2G2AKDM4E

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
US-5098900-A Reducing contractions in smooth muscles NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-03-24 US disclosed
EP-0186817-B1 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-08-02 EP disclosed
EP-0186817-A1 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-07-09 EP disclosed