SCHEMBL12895484

SCHEMBL12895484

C=C(C)C(=O)OCCN(CCOC(=O)C(=C)C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PPARG P37231 1/20 0.43
MAPT P10636 4/20 0.42
KCNH2 Q12809 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 3/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
MMP14 P50281 1/20 0.38

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
SCHEMBL16311864 0.95 ATM (0.43) ATML3MBTL1PPARGMAPTKCNH2
SCHEMBL7096253 0.94 ATM (0.49) ATML3MBTL1PPARGMAPTKCNH2
SCHEMBL625611 0.93 MMP14 (0.49) ATML3MBTL1PPARGMAPTKCNH2
SCHEMBL9655690 0.93 PPARG (0.46) ATML3MBTL1PPARGMAPTMEN1
SCHEMBL625610 0.93 MMP14 (0.49) ATML3MBTL1PPARGMAPTKCNH2
SCHEMBL8614034 0.90 LSS (0.43) ATML3MBTL1PPARGMAPTKCNH2
SCHEMBL9313658 0.88 ACHE (0.47) L3MBTL1MAPK1MEN1KMT2AALDH1A1
SCHEMBL9551059 0.88 MAPT (0.52) ATML3MBTL1MAPTKCNH2MAPK1
SCHEMBL2602717 0.87 MMP14 (0.47) ATML3MBTL1MAPTMAPK1MEN1
SCHEMBL6932967 0.87 MMP14 (0.47) ATML3MBTL1MAPTMAPK1MEN1

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-8329842-B2 Ophthalmological composition and use thereof Arcltec GmbH (DE) 2012-12-11 US disclosed
US-8329842-B2 Ophthalmological composition and use thereof Arcltec GmbH (DE) 2012-12-11 US disclosed
US-20110028667-A1 Copolymer and Ophthalmological Composition *ACRI.TEC GMBH (DE) 2011-02-03 US disclosed
US-20110028667-A1 Copolymer and Ophthalmological Composition *ACRI.TEC GMBH (DE) 2011-02-03 US disclosed
US-20100324165-A1 Ophthalmological Composition And Use Thereof CARL ZEISS MEDITEC AG (DE) 2010-12-23 US disclosed
US-20100324165-A1 Ophthalmological Composition And Use Thereof CARL ZEISS MEDITEC AG (DE) 2010-12-23 US disclosed