SCHEMBL4532746

SCHEMBL4532746

O=C(O)CCCCCCCCCC(=O)OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 6/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
APP P05067 1/20 0.41
KDM4A O75164 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL4074486 1.00 MAOB (0.46) MAOBTDP1MAPTMEN1KMT2A
SCHEMBL9508856 0.94 MAOB (0.50) MAOBTDP1MEN1KMT2AALDH1A1
SCHEMBL10639294 0.90 MAOB (0.49) MAOBMEN1KMT2AALDH1A1HTT
SCHEMBL4531780 0.89 MAOB (0.49) MAOBTDP1MAPTMEN1KMT2A
SCHEMBL10400395 0.88 ALDH1A1 (0.50) MAOBTDP1MAPTMEN1KMT2A
SCHEMBL10926288 0.88 ALDH1A1 (0.50) MAOBTDP1MAPTMEN1KMT2A
SCHEMBL14639145 0.88 ALDH1A1 (0.47) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL3612598 0.88 MAOB (0.45) MAOBTDP1MAPTMEN1KMT2A
SCHEMBL10400145 0.88 ALDH1A1 (0.50) MAOBTDP1MAPTMEN1KMT2A
SCHEMBL1053907 0.88 MAOB (0.45) MAOBTDP1MAPTMEN1KMT2A

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
US-20090220381-A1 IMAGEWISE PATTERNING OF FILMS AND DEVICES COMPRISING THE SAME NESTEC S.A. (CH) 2009-09-03 US disclosed
US-20090220381-A1 IMAGEWISE PATTERNING OF FILMS AND DEVICES COMPRISING THE SAME NESTEC S.A. (CH) 2009-09-03 US disclosed
US-20090220381-A1 IMAGEWISE PATTERNING OF FILMS AND DEVICES COMPRISING THE SAME NESTEC S.A. (CH) 2009-09-03 US disclosed
WO-2007059265-A2 IMAGEWISE PATTERNING OF FILMS AND DEVICES COMPRISING THE SAME WORCESTER POLYTECHNIC INSTITUTE (US) 2007-05-24 WO disclosed