SCHEMBL8713493

SCHEMBL8713493

CC(C)OS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ MMP1 P03956 1/20 0.50
▸ MMP2 P08253 1/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ MMP13 P45452 1/20 0.50
▸ F2 P00734 2/20 0.48
▸ PRSS1 P07477 2/20 0.48
▸ PRSS2 P07478 2/20 0.48
▸ PRSS3 P35030 2/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ HPGD P15428 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ ACHE P22303 1/20 0.44

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
SCHEMBL19469362 0.90 KMT2A (0.58) KMT2AMEN1CA1CA2MMP1
SCHEMBL9098667 0.84 KMT2A (0.51) KMT2AMEN1CA1CA2MMP1
SCHEMBL10711121 0.84 SMN1; SMN2 (0.49) KMT2AMEN1CA1CA2MMP1
SCHEMBL9509278 0.81 KMT2A (0.47) KMT2AMEN1CA1CA2MMP1
SCHEMBL1317710 0.81 KMT2A (0.63) KMT2AMEN1CA1CA2MMP1
SCHEMBL29508624 0.81 KMT2A (0.63) KMT2AMEN1CA1CA2MMP1
SCHEMBL9244505 0.81 KMT2A (0.54) KMT2AMEN1CA1CA2MMP1
SCHEMBL999377 0.80 KMT2A (0.68) KMT2AMEN1CA1CA2MMP1
SCHEMBL8014864 0.80 KMT2A (0.68) KMT2AMEN1CA1CA2MMP1
SCHEMBL29415231 0.80 ALDH1A1 (0.40) KMT2AMEN1CA1CA2ALDH1A1

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-5717124-A Process for preparation of oxyglutaric acid ester derivatives UBE INDUSTRIES, LTD. (JP) 1998-02-10 — — US disclosed
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