SCHEMBL7596596

SCHEMBL7596596

O=C(OC1CCCCC1=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
ALDH1A1 P00352 6/20 0.63
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 2/20 0.45

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
SCHEMBL6399011 0.82 MEN1 (0.49) PKMMEN1KMT2AALDH1A1LMNA
SCHEMBL6398946 0.81 MEN1 (0.49) PKMMEN1KMT2AALDH1A1LMNA
SCHEMBL6397795 0.76 MEN1 (0.44) PKMMEN1KMT2AALDH1A1LMNA
SCHEMBL6397789 0.76 MEN1 (0.44) PKMMEN1KMT2AALDH1A1LMNA
SCHEMBL7590749 0.76 POLB (0.55) PKMMEN1KMT2AALDH1A1LMNA
SCHEMBL7633022 0.76 MEN1 (0.60) PKMMEN1KMT2AALDH1A1LMNA
SCHEMBL6909436 0.75 ALDH1A1 (0.68) PKMMEN1KMT2AALDH1A1LMNA
SCHEMBL4703081 0.75 ALDH1A1 (0.68) PKMMEN1KMT2AALDH1A1LMNA
SCHEMBL6907958 0.75 ALDH1A1 (0.68) PKMMEN1KMT2AALDH1A1LMNA
SCHEMBL617412 0.74 RAB9A (0.42) PKMMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169291-A1 METHODS FOR PRODUCING $g(a)-ACYLOXY CARBONYL COMPOUNDS FROM ENOL ESTER EPOXIDES COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2002-01-09 EP disclosed
WO-2000056696-A1 METHODS FOR PRODUCING α-ACYLOXY CARBONYL COMPOUNDS FROM ENOL ESTER EPOXIDES COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2000-09-28 WO disclosed