SCHEMBL10657993

SCHEMBL10657993

CC(C)(C)OCC(=O)Nc1cc(NC(=O)COC(C)(C)C)cc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
MAPT P10636 6/20 0.47
MEN1 O00255 6/20 0.47
HTT P42858 4/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MITF O75030 1/20 0.47
XBP1 P17861 1/20 0.47
ACP1 P24666 1/20 0.46
POLB P06746 1/20 0.45
MAPK1 P28482 2/20 0.44
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL1947889 0.86 AAK1 (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL10876285 0.83 MEN1 (0.58) KMT2AMAPTMEN1HTTLMNA
SCHEMBL11640367 0.78 CYP1A2 (0.59) KMT2AMAPTMEN1HTTLMNA
SCHEMBL6262245 0.77 MEN1 (0.49) KMT2AMAPTMEN1HTTLMNA
SCHEMBL10657866 0.76 ACP1 (0.54) KMT2AMAPTMEN1HTTLMNA
SCHEMBL15541859 0.74 SMN1; SMN2 (0.59) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL10305757 0.74 SIRT2 (0.47) KMT2AMAPTMEN1HTTLMNA
SCHEMBL15828841 0.72 ALOX5 (0.46) KMT2AMAPTMEN1HTTLMNA
SCHEMBL7685160 0.72 ALDH1A1 (0.60) KMT2AMAPTMEN1HTTLMNA
SCHEMBL7833515 0.72 SMN1; SMN2 (0.69) KMT2AMAPTMEN1HTTLMNA

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-4725620-A 2H-pyran-2,6-(3H)-dione derivatives with anti-allergic activity ALLERGAN, INC. (US) 1988-02-16 US disclosed