SCHEMBL4454307

SCHEMBL4454307

CCCCOP(=S)([S-])OCCCC.CCCCOP(=S)([S-])OCCCC.[Fe+2]

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
LPAR3 Q9UBY5 8/20 0.46
LPAR2 Q9HBW0 7/20 0.46
LPAR1 Q92633 3/20 0.38
TSHR P16473 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 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
Potassium Ion SCHEMBL7714206 0.95 CYP3A4 (0.48) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL29628841 0.95 CYP3A4 (0.48) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL2381190 0.95 CYP3A4 (0.48) CYP3A4LPAR3LPAR2LPAR1TSHR
Zinc Ion SCHEMBL676384 0.95 CYP3A4 (0.48) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL10889532 0.95 CYP3A4 (0.48) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL5164711 0.95 CYP3A4 (0.48) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL4454263 0.95 CYP3A4 (0.48) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL11141761 0.95 CYP3A4 (0.48) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL4454306 0.95 CYP3A4 (0.48) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL11146203 0.95 CYP3A4 (0.48) CYP3A4LPAR3LPAR2LPAR1TSHR

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
EP-1445277-B1 RUBBER COMPOSITION AND PNEUMATIC TIRE USING THE SAME BRIDGESTONE CORP (JP) 2009-01-07 EP disclosed
US-7060757-B2 Rubber composition and pneumatic tire using the same BRIDGESTONE CORPORATION (JP) 2006-06-13 US disclosed
US-20040220351-A1 Rubber composition and pneumatic tire using the same BRIDGESTONE CORPORATION 2004-11-04 US disclosed
EP-1445277-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE USING THE SAME BRIDGESTONE CORPORATION (JP) 2004-08-11 EP disclosed