SCHEMBL8021189

SCHEMBL8021189

CCCCCCCC(NN)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.39
SMPD1 P17405 5/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
DGAT1 O75907 1/20 0.36
FDPS P14324 3/20 0.36
CES2 O00748 1/20 0.36
GGPS1 O95749 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
SCHEMBL29087510 0.77 SMPD1 (0.43) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL10706328 0.77 SMPD1 (0.43) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL28207819 0.77 MEN1 (0.45) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL21109970 0.77 CYP4F2 (0.50) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL27212835 0.77 CES2 (0.41) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL25078774 0.77 CYP4F2 (0.50) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL31036743 0.77 CES2 (0.41) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL19509962 0.77 CES2 (0.46) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL18612496 0.77 CES2 (0.46) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL19510111 0.77 CYP4F2 (0.50) MEN1MAPTKMT2AATML3MBTL1

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-6114394-A Polyamine derivatives as radioprotective agents MERRELL PHARMACEUTICALS INC. (US) 2000-09-05 US disclosed