SCHEMBL887540

SCHEMBL887540

C=C(C)C(=O)OCC(O)COC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.65
ADRB1 P08588 4/20 0.65
ADRB3 P13945 4/20 0.65
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL10871661 0.86 ADRB2 (0.50) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL887514 0.85 ADRB2 (0.64) ADRB2ADRB1ADRB3ALDH1A1KMT2A
SCHEMBL10793807 0.82 ADRB2 (0.60) ADRB2ADRB1ADRB3
SCHEMBL12126370 0.80 ADRB2 (0.58) ADRB2ADRB1ADRB3ALDH1A1KMT2A
SCHEMBL11924479 0.79 ADRB2 (0.44) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL10875780 0.78 ADRB2 (0.50) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL5664025 0.78 ADRB2 (0.63) ADRB2ADRB1ADRB3ALDH1A1KMT2A
SCHEMBL19316658 0.77 ADRB2 (0.54) ADRB2ADRB1ADRB3LMNAPOLB
Dimethylamine SCHEMBL10929098 0.76 ADRB2 (0.58) ADRB2ADRB1ADRB3ALDH1A1KMT2A
SCHEMBL9544979 0.76 NPC1 (0.45) ADRB2ADRB1ADRB3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208035-A1 AQUEOUS COATING COMPOSITION KANSAI PAINT CO., LTD. (JP) 2012-08-16 US disclosed
US-8053084-B2 Aqueous coating composition KANSAI PAINT CO., LTD. (JP) 2011-11-08 US disclosed
US-8053084-B2 Aqueous coating composition KANSAI PAINT CO., LTD. (JP) 2011-11-08 US disclosed
WO-2011040640-A1 AQUEOUS COATING COMPOSITION KANSAI PAINT CO., LTD. (JP) 2011-04-07 WO disclosed
US-20090252879-A1 Aqueous coating composition KANSAI PAINT CO., LTD. 2009-10-08 US disclosed
US-20090252879-A1 Aqueous coating composition KANSAI PAINT CO., LTD. 2009-10-08 US disclosed