SCHEMBL4274136

SCHEMBL4274136

CCCCCOB(CCC)CCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.35
TSHR P16473 1/20 0.35
CA1 P00915 9/20 0.34
CA2 P00918 9/20 0.34
CA9 Q16790 9/20 0.34
CA12 O43570 4/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
LPAR3 Q9UBY5 6/20 0.33
LPAR2 Q9HBW0 5/20 0.33
LPAR1 Q92633 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33

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
SCHEMBL8967089 0.97 THRB (0.40) THRBTSHRCA1CA2CA9
SCHEMBL8966564 0.92 ADRB2 (0.39) THRBTSHRCA1CA2
SCHEMBL4263648 0.90 THRB (0.35) THRBTSHRCA1CA2CA9
SCHEMBL8966928 0.87 THRB (0.40) THRBTSHRCA1CA2CA9
SCHEMBL1140477 0.84 ADRB2 (0.38) THRBTSHRCA1CA2CA9
SCHEMBL1017192 0.81 ANPEP (0.39) THRBTSHRCA1CA2
SCHEMBL5852501 0.80
SCHEMBL8966610 0.79 THRB (0.42) THRBTSHRCA1CA2CA9
SCHEMBL8967164 0.79 THRB (0.42) THRBTSHRCA1CA2CA9
SCHEMBL4261185 0.76 ANPEP (0.39) THRBTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399570-B2 Functionalized polymers and improved tires therefrom BRIDGESTONE CORPORATION (JP) 2013-03-19 US disclosed
US-20090326161-A1 FUNCTIONALIZED POLYMERS AND IMPROVED TIRES THEREFROM BRIDGESTONE CORPORATION (JP) 2009-12-31 US disclosed
US-7598322-B1 particularly tire treads exhibiting reduced rolling resistance; a vulcanized rubbery polymer such as polybutadiene-butadiene-styrene copolymer made from living polymerization using butyllithium initiator and a tributyloxyborane as polymerization terminator BRIDGESTONE CORPORATION (JP) 2009-10-06 US disclosed