SCHEMBL27780945

SCHEMBL27780945

O=NOC(=O)c1ccco1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.58
PKM P14618 5/20 0.58
KMT2A Q03164 7/20 0.55
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
GFER P55789 1/20 0.54
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
POLB P06746 2/20 0.51
MEN1 O00255 2/20 0.51
HPGD P15428 1/20 0.50
PTPN1 P18031 2/20 0.49
PTPN2 P17706 1/20 0.49
PTPN6 P29350 1/20 0.49
PTPN11 Q06124 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPK8 P45983 1/20 0.48

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
SCHEMBL896787 0.79 CES2 (0.62) SMN1; SMN2PKMKMT2AALDH1A1CES2
SCHEMBL2201261 0.79 CES2 (0.62) SMN1; SMN2PKMKMT2AALDH1A1CES2
SCHEMBL6690863 0.77
SCHEMBL7897291 0.77
SCHEMBL12328533 0.77 SMN1; SMN2 (0.59) SMN1; SMN2PKMKMT2ANPC1RAB9A
SCHEMBL8931340 0.75
SCHEMBL13381577 0.75 KMT2A (0.75) SMN1; SMN2PKMKMT2ANPC1RAB9A
SCHEMBL363937 0.75
SCHEMBL17922016 0.75
SCHEMBL30698159 0.75 KMT2A (0.69) SMN1; SMN2PKMKMT2ANPC1RAB9A

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
CN-101548425-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP (JP) 2009-09-30 CN claimed
CN-102201596-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2015-04-08 CN disclosed
CN-102201596-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2011-09-28 CN disclosed
CN-101548425-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP (JP) 2009-09-30 CN disclosed