SCHEMBL4752026

SCHEMBL4752026

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.58
▸ BCL9 O00512 1/20 0.55
▸ CTNNB1 P35222 1/20 0.55
▸ HTR2A P28223 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ KMT2A Q03164 3/20 0.50
▸ PKM P14618 1/20 0.50
▸ MGLL Q99685 2/20 0.49
▸ MAPT P10636 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ MAPK1 P28482 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ HSD17B10 Q99714 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
SCHEMBL14307582 1.00 GAA (0.58) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL4683792 0.88 GAA (0.60) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL9237410 0.86 GAA (0.57) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL9299508 0.86 GAA (0.57) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL9435291 0.85 GAA (0.57) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL31627961 0.85 GAA (0.57) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL515913 0.85 GAA (0.57) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL16922669 0.85 GAA (0.57) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL18285287 0.85 GAA (0.57) GAABCL9CTNNB1HTR2ASMN1; SMN2
SCHEMBL16671852 0.85 GAA (0.57) GAABCL9CTNNB1HTR2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1509334-B Transformant producing PF1022 substance derivatives, process for producing same and novel/biosynthesis gene MEIJI SEIKA KAISHA 2010-04-28 — — CN disclosed
JP-2008092952-A METHOD FOR PREPARATION OF SUBSTITUTED ARYL LACTIC ACID CONTAINING CYCLODEPSIPEPTIDES WITH 24 RING ATOMS BAYER AG 2008-04-24 — — JP disclosed
CN-1509334-A Transformant producing PF1022 substance derivatives, process for producing same and novel/biosynthesis gene �����Ƹ���ʽ���� 2004-06-30 — — CN disclosed
CN-1113101-C Process for the preparation of substituted aryl lactic acid containing cyclodepsipeptides with 24 ring atoms BAYER AG (DE) 2003-07-02 — — CN disclosed
CN-1082052-C process for preparing cyclic depsipeptide compounds and novel cyclic depsipeptides MEIJI SEIKA KAISHA (JP) 2002-04-03 — — CN disclosed
CN-1230182-A Process for producing cyclodepsipeptide compounds and novel cyclodepsipeptide MEIJI SEIKA KAISHA (JP) 1999-09-29 — — CN disclosed
CN-1208439-A Process for the preparation of substituted aryl lactic acid containing cyclodepsipeptides with 24 ring atoms BAYER AG (DE) 1999-02-17 — — CN disclosed
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