SCHEMBL22766902

SCHEMBL22766902

N#CCOC(=O)CC(=O)OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
HPGD P15428 1/20 0.52
MAOB P27338 1/20 0.45
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
F2 P00734 1/20 0.39
KDM4A O75164 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL29890139 1.00 ALDH1A1 (0.52) ALDH1A1HPGDMAOBHTTL3MBTL1
SCHEMBL1556056 0.89 MAOB (0.54) ALDH1A1HPGDMAOBHTTL3MBTL1
SCHEMBL9186019 0.85 ALDH1A1 (0.56) ALDH1A1HPGDMAOBHTTL3MBTL1
SCHEMBL27809104 0.82 MAPK1 (0.52) ALDH1A1MAOBHTTL3MBTL1TSHR
SCHEMBL7344648 0.82 MAOB (0.50) ALDH1A1HPGDMAOBHTTL3MBTL1
SCHEMBL20598466 0.80 MAOB (0.54) ALDH1A1HPGDMAOBHTTL3MBTL1
SCHEMBL12815050 0.79 ALDH1A1 (0.51) ALDH1A1HPGDMAOBHTTL3MBTL1
SCHEMBL28416934 0.79 ALDH1A1 (0.57) ALDH1A1MAOBHTTL3MBTL1TSHR
SCHEMBL1759352 0.77 MAOB (0.55) ALDH1A1HPGDMAOBHTTL3MBTL1
SCHEMBL28409395 0.77 MAOB (0.51) ALDH1A1HPGDMAOBHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020247605-A1 COMPOSITIONS AND METHODS FOR MAKING HYBRID POLYPEPTIDES YALE UNIVERSITY (US) 2020-12-10 WO disclosed