SCHEMBL5496451

SCHEMBL5496451

CCOC(=O)CCNC(C(=O)CCCCC[AsH2])C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPHX2 P34913 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
NAMPT P43490 1/20 0.33
LTA4H P09960 1/20 0.33
DGKA P23743 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
SCHEMBL26006 0.86 CYP1A2 (0.50) KMT2AGAAPOLBL3MBTL1CYP1A2
SCHEMBL11074412 0.80 GAA (0.48) KMT2AGAAPOLBL3MBTL1CYP1A2
Hydrochloric Acid SCHEMBL11065818 0.78 GAA (0.46) KMT2AGAAPOLBL3MBTL1CYP1A2
SCHEMBL11609561 0.71 KMT2A (0.57) KMT2AGAAPOLBL3MBTL1CYP1A2
SCHEMBL7309740 0.69 GAA (0.52) KMT2AGAAPOLBL3MBTL1CYP1A2
SCHEMBL13250492 0.69 GAA (0.46) KMT2AGAAPOLBL3MBTL1CYP1A2
SCHEMBL20937053 0.68 LTA4H (0.54) KMT2AGAAPOLBCYP1A2ALDH1A1
SCHEMBL15493832 0.67 MGAM (0.46) KMT2AGAAPOLBL3MBTL1ALDH1A1
SCHEMBL4464939 0.67 GAA (0.59) KMT2AGAAPOLBL3MBTL1CYP1A2
SCHEMBL495925 0.67 CYP1A2 (0.70) KMT2AGAACYP1A2ALDH1A1CYP3A4

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-1802644-A2 RNAI MODULATION OF APOB AND USES THEREOF Alnylam Pharmaceuticals Inc. (US) 2007-07-04 EP disclosed
WO-2006036916-A2 RNAI MODULATION OF APOB AND USES THEREOF ALNYLAM PHARMACEUTICALS, INC. (US) 2006-04-06 WO disclosed