SCHEMBL13857073

SCHEMBL13857073

ClCc1cccc(-c2cccc(Cc3cccc(-c4cccc(CCl)c4)c3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ACMSD Q8TDX5 1/20 0.43
AGXT P21549 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
PTPN5 P54829 4/20 0.40
PRMT6 Q96LA8 3/20 0.40
PRKCI P41743 1/20 0.39
EPHX2 P34913 1/20 0.38
CALM1 P0DP23 1/20 0.38
CHKA P35790 1/20 0.37
SLC5A2 P31639 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL1310731 0.93 TSHR (0.48) TSHRACMSDAGXTHRH3PRMT6
SCHEMBL13857069 0.87 TSHR (0.48) TSHRCALM1TAAR1
SCHEMBL1745429 0.86 AGXT (0.55) TSHRAGXTHRH3PRKCITAAR1
Water SCHEMBL28572120 0.84 AGXT (0.53) TSHRAGXTHRH3PRMT6PRKCI
SCHEMBL1309244 0.84 TAAR1 (0.48) TSHRAGXTPRKCICHKATAAR1
SCHEMBL16675053 0.82 AGXT (0.52) TSHRAGXTHRH3PRKCICHKA
SCHEMBL16675040 0.82 AGXT (0.52) TSHRAGXTHRH3PRKCICHKA
SCHEMBL4430949 0.81 CALM1 (0.57) TSHRACMSDCALM1
SCHEMBL7505474 0.80 TAAR1 (0.55) TSHRAGXTTAAR1
SCHEMBL3832589 0.80 TAAR1 (0.50) AGXTPTPN5PRKCICHKATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436103-B2 Star polymer and method of producing the same NIPPON SODA CO., LTD. (JP) 2013-05-07 US disclosed
US-8436103-B2 Star polymer and method of producing the same NIPPON SODA CO., LTD. (JP) 2013-05-07 US disclosed
US-20090118436-A1 Star Polymer and Method of Producing the Same NIPPON SODA CO., LTD. (JP) 2009-05-07 US disclosed
US-20090118436-A1 Star Polymer and Method of Producing the Same NIPPON SODA CO., LTD. (JP) 2009-05-07 US disclosed