SCHEMBL7688773

SCHEMBL7688773

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.39
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
THRB P10828 1/20 0.37
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36

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
SCHEMBL25510384 0.89 ALDH1A1 (0.47) ALDH1A1POLBMAPTKMT2AL3MBTL1
SCHEMBL27148978 0.82 ALDH1A1 (0.60) ALDH1A1POLBPKMKMT2AL3MBTL1
SCHEMBL3655785 0.82 ALDH1A1 (0.60) ALDH1A1POLBPKMKMT2AL3MBTL1
SCHEMBL29907231 0.82 ALDH1A1 (0.60) ALDH1A1POLBPKMKMT2AL3MBTL1
SCHEMBL26913072 0.82 ALDH1A1 (0.52) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL30684256 0.82 ALDH1A1 (0.52) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL5468205 0.79 CASP1 (0.42) ALDH1A1POLBMAPTKMT2AL3MBTL1
SCHEMBL6487230 0.77 ALDH1A1 (0.56) ALDH1A1KMT2ATHRB
SCHEMBL25297127 0.77 ALDH1A1 (0.47) ALDH1A1MAPTPKMKMT2AMEN1
SCHEMBL30450457 0.77 ALDH1A1 (0.47) ALDH1A1MAPTPKMKMT2AMEN1

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-6469181-B1 PREPARING 2-OXINDOLES AND N-HYROXY-2- OXINDOLES VIA REDUCTION OF 2-NITROARYLMALONATE DIESTERS WITHOUT ISOLATION OF INTERMEDIATES CATALYTICA, INC. 2002-10-22 US disclosed
EP-0809631-A4 PROCESS FOR PREPARING 2-OXINDOLES AND N-HYDROXY-2-OXINDOLES CATALYTICA INC (US) 1998-07-08 EP disclosed
EP-0809631-A1 PROCESS FOR PREPARING 2-OXINDOLES AND N-HYDROXY-2-OXINDOLES CATALYTICA, INC. (US) 1997-12-03 EP disclosed
WO-1996023770-A1 PROCESS FOR PREPARING 2-OXINDOLES AND N-HYDROXY-2-OXINDOLES CATALYTICA, INC. (US) 1996-08-08 WO disclosed