SCHEMBL4263653

SCHEMBL4263653

BOC(CCCC)(CCCCC)CCCCC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
FDPS P14324 11/20 0.33
GGPS1 O95749 7/20 0.33
SMPD1 P17405 4/20 0.33
CES2 O00748 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 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
SCHEMBL2347367 0.90 LMNA (0.30) TSHR
SCHEMBL4274143 0.90 LMNA (0.30) TSHR
SCHEMBL4261192 0.84 LMNA (0.30) TSHR
SCHEMBL21458111 0.78 TSHR (0.39) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL706254 0.76 TSHR (0.37) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL16497599 0.76 TSHR (0.37) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL571523 0.76 TSHR (0.44) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL1101547 0.75 TSHR (0.41) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL22163801 0.75 TSHR (0.41) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL6449264 0.74 TSHR (0.35) TSHRTHRBFDPSGGPS1SMPD1

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