SCHEMBL3672713

SCHEMBL3672713

COc1ccc(C(OCC23CC(C)C(C2)C(n2ccc(=O)[nH]c2=O)O3)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DUT P33316 5/20 0.38
SLC6A11 P48066 5/20 0.35
SLC6A1 P30531 2/20 0.35
P2RY6 Q15077 2/20 0.35
P2RY14 Q15391 2/20 0.35
TYMP P19971 1/20 0.35
NT5E P21589 1/20 0.34
SLC6A12 P48065 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A13 Q9NSD5 1/20 0.32
P2RY2 P41231 1/20 0.31

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
SCHEMBL3670824 0.91 DUT (0.37) DUTSLC6A11SLC6A1P2RY6P2RY14
SCHEMBL3640871 0.83 TYMP (0.36) SLC6A11SLC6A1TYMPNT5ESLC6A12
SCHEMBL31201516 0.79 P2RY14 (0.41) DUTP2RY6P2RY14TYMPNT5E
SCHEMBL1096814 0.79 P2RY6 (0.38) DUTSLC6A11SLC6A1P2RY6P2RY14
SCHEMBL1098282 0.79 P2RY6 (0.38) DUTSLC6A11SLC6A1P2RY6P2RY14
SCHEMBL4074748 0.79 P2RY6 (0.38) DUTSLC6A11SLC6A1P2RY6P2RY14
SCHEMBL7096692 0.78 P2RY6 (0.41) DUTSLC6A11SLC6A1P2RY6P2RY14
SCHEMBL12386210 0.78 P2RY6 (0.41) DUTSLC6A11SLC6A1P2RY6P2RY14
SCHEMBL4075035 0.78 NT5E (0.40) DUTSLC6A11SLC6A1P2RY6P2RY14
SCHEMBL31201540 0.76 DUT (0.36) DUTSLC6A11SLC6A1P2RY6P2RY14

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