SCHEMBL9726453

SCHEMBL9726453

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.48
ADRA1A P35348 1/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 3/20 0.42
ATM Q13315 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
PLA2G4A P47712 1/20 0.42
EPHX2 P34913 3/20 0.41
FABP4 P15090 1/20 0.41
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL9726421 0.86 ECE1 (0.45) PRMT1ADRA1AKDM4EL3MBTL1LMNA
SCHEMBL38788 0.78 ZDHHC20 (0.57) PRMT1ADRA1AMAPTMEN1KMT2A
SCHEMBL9726624 0.78 TSHR (0.52) ALDH1A1LMNAEPHX2TSHR
SCHEMBL3900089 0.77 ALDH1A1 (0.56) PRMT1ADRA1AMAPTMEN1KMT2A
SCHEMBL3900092 0.77 ALDH1A1 (0.56) PRMT1ADRA1AMAPTMEN1KMT2A
SCHEMBL18666797 0.76 PRMT1 (0.42) PRMT1ADRA1AMAPTMEN1KMT2A
SCHEMBL28459307 0.75 KMT2A (0.49) PRMT1ADRA1AMAPTMEN1KMT2A
SCHEMBL20657261 0.75 KMT2A (0.49) PRMT1ADRA1AMAPTMEN1KMT2A
SCHEMBL20577970 0.75 PLA2G4A (0.47) PRMT1ADRA1AMAPTMEN1KMT2A
SCHEMBL31475480 0.74 PRMT1 (0.81) PRMT1ADRA1ALMNASLC22A6EPHX2

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