SCHEMBL41296

SCHEMBL41296

CCCCC(C)(C(C)=O)C(=O)OCC.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP4F2 P78329 3/20 0.43
CYP4A11 Q02928 3/20 0.43
PKM P14618 3/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.42
MMP8 P22894 2/20 0.41
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PPARA Q07869 2/20 0.34
PPARG P37231 1/20 0.34
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL13084351 0.98 MEN1 (0.47) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL10001105 0.93 MEN1 (0.54) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL7508728 0.88 CYP4F2 (0.48) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL16976302 0.86 MMP8 (0.44) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL10001106 0.84 CYP4F2 (0.64) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL31650821 0.83 CYP4F2 (0.44) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL11300530 0.83 CYP4F2 (0.44) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL6067652 0.82 MEN1 (0.54) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL9263994 0.82 CYP1A2 (0.47) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL10068075 0.82 CYP4F2 (0.41) MEN1KMT2AMAPTATML3MBTL1

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-2588541-A1 DYE COMPOSITIONS AND DYE SYNTHESES GE Healthcare AS (NO) 2013-05-08 EP disclosed
WO-2012001063-A1 DYE COMPOSITIONS AND DYE SYNTHESES GE HEALTHCARE AS (NO) 2012-01-05 WO disclosed