SCHEMBL5828933

SCHEMBL5828933

CC(C)(C)OC(=O)[C@H](O)CN1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.37
PKM P14618 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CTSK P43235 1/20 0.36
ABCB1 P08183 2/20 0.35

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
SCHEMBL5829269 1.00 MEN1 (0.41) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL6697403 0.98 MEN1 (0.44) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL4223348 0.85 USP2 (0.47) MEN1KMT2AL3MBTL1ALDH1A1ABCB1
SCHEMBL5828931 0.82 MEN1 (0.38) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL5829266 0.82 MEN1 (0.38) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL31758131 0.79 MEN1 (0.45) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL485946 0.79 ANPEP (0.42) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL27768607 0.79 MEN1 (0.38) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL9231379 0.78 HSD17B10 (0.37) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL2959602 0.78 KMT2A (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001904-B1 Guanidine derivatives quinazoline and quinoline for use in the treatment of autoimmune diseases ASTRAZENECA AB (SE) 2006-02-21 US disclosed