SCHEMBL8583137

SCHEMBL8583137

COC(=O)C(C)C(=O)Oc1ccc(OC)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
THRB P10828 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.48
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
MAPK1 P28482 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.45
ABCB1 P08183 1/20 0.45
ABCC1 P33527 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
SCHEMBL7683807 0.84 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL27565180 0.84 L3MBTL1 (0.50) MAPTALDH1A1KMT2AHTT
SCHEMBL7677025 0.84 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL7682008 0.83 MAPT (0.55) MAPTTHRBALDH1A1MEN1KMT2A
SCHEMBL7673654 0.83 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL27551196 0.83 MEN1 (0.55) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL532051 0.83 MAPT (0.49) MAPTTHRBALDH1A1MEN1KMT2A
SCHEMBL7210375 0.81 MAPT (0.52) MAPTTHRBALDH1A1MEN1KMT2A
SCHEMBL12993689 0.80 MAPT (0.54) MAPTTHRBALDH1A1MEN1KMT2A
SCHEMBL7682016 0.80 MAPT (0.52) MAPTTHRBALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1078590-C Process for preparing 2-oxindoles and N-hydroxy-2-oxindoles CATALYTICA INC (US) 2002-01-30 CN disclosed
EP-0809631-A4 PROCESS FOR PREPARING 2-OXINDOLES AND N-HYDROXY-2-OXINDOLES CATALYTICA INC (US) 1998-07-08 EP disclosed
CN-1177347-A Process for preparing 2 -oxindoles and N -hydroxy -2 -oxindoles CATALYTICA INC (US) 1998-03-25 CN 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