SCHEMBL3640871

SCHEMBL3640871

COc1ccc(C(OCC23CC(C)C(C2)C(n2ccc(N)nc2=O)O3)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.36
SLC6A11 P48066 5/20 0.35
SLC6A1 P30531 2/20 0.35
ST6GAL1 P15907 2/20 0.33
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
MTOR P42345 1/20 0.32
MDM2 Q00987 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
SLC6A12 P48065 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31
NT5E P21589 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3672713 0.83 DUT (0.38) TYMPSLC6A11SLC6A1SLC6A12MEN1
SCHEMBL4074704 0.77 TYMP (0.33) TYMPSLC6A11SLC6A1LMNATHRB
SCHEMBL3670824 0.74 DUT (0.37) TYMPSLC6A11SLC6A1SLC6A12MEN1
SCHEMBL1739171 0.74 TYMP (0.47) TYMPSLC6A11SLC6A1ST6GAL1LMNA
SCHEMBL5710025 0.74 TYMP (0.62) TYMPST6GAL1LMNATHRBMTOR
SCHEMBL16144282 0.73 PDE4D (0.34) TYMPST6GAL1LMNATHRBMTOR
SCHEMBL16144281 0.72 PDE3A (0.36) TYMPST6GAL1LMNATHRBMTOR
SCHEMBL16144603 0.72 TYMP (0.33) TYMPST6GAL1LMNATHRBMTOR
SCHEMBL21065502 0.72 TYMP (0.41) TYMPSLC6A11SLC6A1ST6GAL1LMNA
SCHEMBL1737308 0.72 TYMP (0.54) TYMPST6GAL1LMNATHRBMTOR

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-2173760-A2 CARBOCYCLIC BICYCLIC NUCLEIC ACID ANALOGS Isis Pharmaceuticals, Inc. (US) 2010-04-14 EP disclosed
WO-2008154401-A2 CARBOCYCLIC BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2008-12-18 WO disclosed