SCHEMBL8710708

SCHEMBL8710708

CCCCOS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MEN1 O00255 4/20 0.53
PKM P14618 1/20 0.49
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
F2 P00734 2/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
THRB P10828 1/20 0.43

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
SCHEMBL8716642 0.95 KMT2A (0.51) KMT2AMEN1PKMCA1CA2
SCHEMBL8711063 0.94 KMT2A (0.50) KMT2AMEN1PKMCA1CA2
SCHEMBL8711023 0.94 KMT2A (0.50) KMT2AMEN1PKMCA1CA2
SCHEMBL8713770 0.94 KMT2A (0.50) KMT2AMEN1PKMCA1CA2
SCHEMBL10792789 0.94 KMT2A (0.50) KMT2AMEN1PKMCA1CA2
SCHEMBL8711803 0.94 KMT2A (0.50) KMT2AMEN1PKMCA1CA2
SCHEMBL8315334 0.91 KMT2A (0.56) KMT2AMEN1PKMCA1CA2
SCHEMBL1181019 0.87 KMT2A (0.63) KMT2AMEN1PKMCA1CA2
SCHEMBL8712210 0.84 KMT2A (0.59) KMT2AMEN1PKMCA1CA2
SCHEMBL16195747 0.84 KMT2A (0.51) KMT2AMEN1PKMCA1CA2

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