SCHEMBL9709293

SCHEMBL9709293

CCCN(CCC)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1S(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 2/20 0.49
HCAR3 P49019 3/20 0.48
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 3/20 0.39
VCAM1 P19320 3/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP19A1 P11511 3/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
NSD2 O96028 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 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
SCHEMBL9709096 0.88 TDP1 (0.52) ALDH3A1HCAR3TDP1ALDH1A1VCAM1
SCHEMBL9708896 0.76 ALDH3A1 (0.50) ALDH3A1HCAR3TDP1ALDH1A1VCAM1
SCHEMBL9708914 0.75 MAPK1 (0.51) ALDH3A1HCAR3TDP1ALDH1A1VCAM1
SCHEMBL414469 0.75 ALDH3A1 (0.51) ALDH3A1HCAR3TDP1ALDH1A1VCAM1
SCHEMBL5905635 0.71 ALDH1A1 (0.55) ALDH3A1HCAR3TDP1ALDH1A1VCAM1
SCHEMBL28552308 0.70 TDP1 (0.70) ALDH3A1HCAR3TDP1ALDH1A1VCAM1
SCHEMBL8055524 0.70 ALDH3A1 (0.49) ALDH3A1HCAR3TDP1ALDH1A1MAPK1
SCHEMBL11570967 0.69 ALDH3A1 (0.59) ALDH3A1HCAR3TDP1ALDH1A1MAPK1
SCHEMBL6395129 0.69 ALDH3A1 (0.67) ALDH3A1HCAR3TDP1ALDH1A1MAPK1
SCHEMBL3505281 0.69 MEN1 (0.59) ALDH3A1HCAR3ALDH1A1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0498694-A1 Product for limiting the number of branches of vine and other ligneous plants and process for using the same C F P I (FR) 1992-08-12 EP claimed
EP-0497685-A1 Anti-bud product for vine and other ligneous plants and process for using the same C F P I (FR) 1992-08-05 EP claimed
EP-0498694-A1 Product for limiting the number of branches of vine and other ligneous plants and process for using the same C F P I (FR) 1992-08-12 EP disclosed
EP-0497685-A1 Anti-bud product for vine and other ligneous plants and process for using the same C F P I (FR) 1992-08-05 EP disclosed