SCHEMBL9726440

SCHEMBL9726440

[CH]=CC(=O)NCC(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
PPID Q08752 3/20 0.46
ALDH1A1 P00352 6/20 0.45
TRPA1 O75762 1/20 0.45
PPIB P23284 1/20 0.44
PPIA P62937 1/20 0.44
PPIG Q13427 1/20 0.44
EPHX2 P34913 1/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
NLRP3 Q96P20 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL11014638 0.82 GAA (0.53) GAAMGAMSIMGAM2PPID
SCHEMBL7830394 0.82 GAA (0.53) GAAMGAMSIMGAM2PPID
SCHEMBL9726698 0.81 TET2 (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9726454 0.81 GAA (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7946756 0.81 PPID (0.62) GAAMGAMSIMGAM2PPID
SCHEMBL4808647 0.80 GAA (0.52) GAAMGAMSIMGAM2PPID
SCHEMBL265676 0.78 GAA (0.50) GAAMGAMSIMGAM2PPID
SCHEMBL7089973 0.76 GAA (0.61) GAAMGAMSIMGAM2PPID
SCHEMBL17186148 0.76 GAA (0.47) GAAMGAMSIMGAM2PPID
SCHEMBL8144848 0.75 GAA (0.55) GAAMGAMSIMGAM2PPID

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