SCHEMBL9708896

SCHEMBL9708896

CCCN(CCC)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 4/20 0.50
HCAR3 P49019 3/20 0.49
ALDH1A1 P00352 7/20 0.45
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 2/20 0.40
VCAM1 P19320 1/20 0.35
NSD2 O96028 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 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
SCHEMBL9709293 0.76 ALDH3A1 (0.49) ALDH3A1HCAR3ALDH1A1MAPTL3MBTL1
SCHEMBL9708914 0.76 MAPK1 (0.51) ALDH3A1HCAR3ALDH1A1MAPTL3MBTL1
SCHEMBL414469 0.76 ALDH3A1 (0.51) ALDH3A1HCAR3ALDH1A1MAPTL3MBTL1
SCHEMBL9709096 0.75 TDP1 (0.52) ALDH3A1HCAR3ALDH1A1MAPTL3MBTL1
SCHEMBL11321924 0.72 TDP1 (0.50) ALDH3A1HCAR3ALDH1A1MAPTL3MBTL1
SCHEMBL5905635 0.72 ALDH1A1 (0.55) ALDH3A1HCAR3ALDH1A1MAPTL3MBTL1
SCHEMBL10936169 0.72 TSHR (0.43) ALDH1A1MAPTL3MBTL1TDP1TSHR
SCHEMBL8055524 0.71 ALDH3A1 (0.49) ALDH3A1HCAR3ALDH1A1MAPTL3MBTL1
SCHEMBL11570967 0.70 ALDH3A1 (0.59) ALDH3A1HCAR3ALDH1A1MAPTL3MBTL1
SCHEMBL6395129 0.70 ALDH3A1 (0.67) ALDH3A1HCAR3ALDH1A1MAPTMAPK1

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