SCHEMBL5829266

SCHEMBL5829266

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.36
CTSK P43235 1/20 0.36
GAA P10253 2/20 0.35
ATM Q13315 1/20 0.34
PIK3CD O00329 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5828931 1.00 MEN1 (0.38) MEN1KMT2ANPSR1MAPTHPGD
SCHEMBL27768607 0.83 MEN1 (0.38) MEN1KMT2ANPSR1MAPTHPGD
SCHEMBL5828933 0.82 MEN1 (0.41) MEN1KMT2ANPSR1MAPTHPGD
SCHEMBL5829269 0.82 MEN1 (0.41) MEN1KMT2ANPSR1MAPTHPGD
SCHEMBL6697403 0.81 MEN1 (0.44) MEN1KMT2ANPSR1MAPTHPGD
SCHEMBL485946 0.79 ANPEP (0.42) MEN1KMT2ANPSR1MAPTHPGD
SCHEMBL9231379 0.78 HSD17B10 (0.37) MEN1KMT2ANPSR1MAPTHPGD
SCHEMBL22263552 0.72 HRH3 (0.37) MEN1KMT2AHPGDALDH1A1CTSK
SCHEMBL18215144 0.71 CTSK (0.42) KMT2ACTSK
SCHEMBL30556882 0.71 PADI1 (0.45) CTSKHTT

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