SCHEMBL4264040

SCHEMBL4264040

BCCC(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.43
LTA4H P09960 1/20 0.36
TSHR P16473 1/20 0.36
KCNA3 P22001 1/20 0.36
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KCNK2 O95069 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1C Q13936 1/20 0.34
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
LMNA P02545 1/20 0.33
CA4 P22748 1/20 0.33
SCN4A P35499 2/20 0.32

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
SCHEMBL28441426 0.77 SLC6A4 (0.39) SLC6A4LTA4HTSHRKCNA3MTNR1A
SCHEMBL6463009 0.77 SLC6A4 (0.43) SLC6A4LTA4HTSHRMTNR1AMTNR1B
SCHEMBL4370604 0.77 SLC6A4 (0.39) SLC6A4LTA4HTSHRKCNA3MTNR1A
SCHEMBL6438883 0.77 ALDH1A1 (0.46) SLC6A4LTA4HTSHRKCNA3MTNR1A
SCHEMBL11658593 0.77 SLC6A4 (0.39) SLC6A4LTA4HTSHRKCNA3MTNR1A
Bromide SCHEMBL25265561 0.76 SLC6A4 (0.38) SLC6A4LTA4HTSHRKCNA3MTNR1A
Hydrochloric Acid SCHEMBL25265641 0.76 SLC6A4 (0.38) SLC6A4LTA4HTSHRKCNA3MTNR1A
SCHEMBL10413016 0.76 PPARG (0.47) PPARGPPARA
SCHEMBL705985 0.74 SLC6A4 (0.37) SLC6A4LTA4HTSHRKCNA3MTNR1A
SCHEMBL25203010 0.74 KCNA3 (0.38) SLC6A4LTA4HTSHRKCNA3MTNR1A

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