SCHEMBL887514

SCHEMBL887514

C=C(C)C(=O)OCC(O)COC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.64
ADRB1 P08588 6/20 0.64
ADRB3 P13945 6/20 0.64
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX5 P09917 1/20 0.44
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL10875780 0.88 ADRB2 (0.50) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL887540 0.85 ADRB2 (0.65) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL16338718 0.84 ATM (0.58) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL19316655 0.84 ADRB2 (0.47) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL9792359 0.82 ADRB2 (0.59) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL13002778 0.82 ADRB2 (0.59) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL10706533 0.82 MAPT (0.54) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL10060657 0.82 ADRB2 (0.43) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL23601564 0.81 ADRB2 (0.45) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL21422410 0.81 ADRB2 (0.49) ADRB2ADRB1ADRB3MEN1KMT2A

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 7 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-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