SCHEMBL7682013

SCHEMBL7682013

COc1ccc(OC(=O)CC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
THRB P10828 1/20 0.52
AKR1C3 P42330 4/20 0.51
AKR1C2 P52895 4/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 4/20 0.49
AKR1B10 O60218 1/20 0.48
AKR1B1 P15121 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C1 Q04828 1/20 0.48
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL7682016 1.00 MAPT (0.52) MAPTTHRBAKR1C3AKR1C2NPC1
SCHEMBL7682008 0.93 MAPT (0.55) MAPTTHRBAKR1C3AKR1C2NPC1
SCHEMBL9652442 0.89 SMN1; SMN2 (0.48) MAPTAKR1C3AKR1C2NPC1RAB9A
SCHEMBL12704884 0.86 MAPT (0.51) MAPTTHRBAKR1C3AKR1C2NPC1
SCHEMBL12993689 0.81 MAPT (0.54) MAPTTHRBAKR1C3AKR1C2NPC1
SCHEMBL7350886 0.81 MEN1 (0.54) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL7350879 0.81 MEN1 (0.54) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2729880 0.81 ALDH1A1 (0.45) MAPTAKR1C3AKR1C2NPC1RAB9A
SCHEMBL7683703 0.81 ALDH1A1 (0.49) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL2698893 0.81 MEN1 (0.61) MAPTAKR1C3AKR1C2NPC1RAB9A

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 1 patent. 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