SCHEMBL7683609

SCHEMBL7683609

COC(=O)C(C(=O)OC)c1ccc(OC)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 5/20 0.50
RAB9A P51151 2/20 0.50
MAPK1 P28482 2/20 0.50
NPC1 O15118 1/20 0.50
AKR1C3 P42330 3/20 0.49
AKR1C2 P52895 3/20 0.49
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
AKR1B10 O60218 1/20 0.48
AKR1B1 P15121 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C1 Q04828 1/20 0.48
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.46

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
SCHEMBL3833396 0.90 MAPT (0.54) ALDH1A1PKMSMN1; SMN2MAPTRAB9A
SCHEMBL4011721 0.89 ALDH1A1 (0.58) ALDH1A1PKMSMN1; SMN2MAPTRAB9A
SCHEMBL4262697 0.88 ALDH1A1 (0.64) ALDH1A1PKMSMN1; SMN2MAPTRAB9A
SCHEMBL3582173 0.87 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTRAB9AMAPK1
SCHEMBL3582172 0.87 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTRAB9AMAPK1
SCHEMBL4414623 0.86 ALDH1A1 (0.58) ALDH1A1PKMSMN1; SMN2MAPTRAB9A
SCHEMBL12788079 0.84 ALDH1A1 (0.66) ALDH1A1PKMMAPTRAB9ANPC1
SCHEMBL7681081 0.82 MAPT (0.46) ALDH1A1SMN1; SMN2MAPTRAB9AMAPK1
SCHEMBL624054 0.82 ALDH1A1 (0.64) ALDH1A1PKMSMN1; SMN2MAPTMAPK1
SCHEMBL15498651 0.82 ALDH1A1 (0.64) ALDH1A1PKMSMN1; SMN2MAPTRAB9A

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-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
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