SCHEMBL9629209

SCHEMBL9629209

CCCCCCCC(CCS)C(=O)[O-].CCCCCCCC(CCS)C(=O)[O-].CCCCCCCC[Sn+2]CCCCCCCC.CCCCCCCC[Sn+2]CCCCCCCC.[S-2]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.60
NFKB1 P19838 3/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CA1 P00915 2/20 0.42
GPR84 Q9NQS5 6/20 0.37
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
FFAR1 O14842 1/20 0.35
MAPT P10636 1/20 0.34
LCK P06239 1/20 0.34
PPARD Q03181 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 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
SCHEMBL6655133 0.95 CA2 (0.62) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL7878112 0.95 CA2 (0.62) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL4365094 0.95 CA2 (0.62) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL8937003 0.95 CA2 (0.62) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL3519177 0.89 CA2 (0.49) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL19579518 0.89 CA2 (0.76) CA2NFKB1CYP3A4TSHRNPSR1
Mercaptopropionic Acid SCHEMBL8075201 0.89 CA2 (0.54) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL11584786 0.89 CA2 (0.54) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL11583460 0.88 CA2 (0.53) CA2NPSR1FFAR1MAPT
SCHEMBL5829480 0.87 CA2 (0.68) CA2NFKB1CYP3A4TSHRNPSR1

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
EP-0182526-B1 STABILIZERS FOR HALOGEN-CONTAINING ORGANIC POLYMERS COMPRISING AN ORGANOTIN COMPOUND AND A DIESTER MORTON INTERNATIONAL, INC. (US) 1992-03-25 EP disclosed
EP-0320147-A1 Compositions for stabilizing halogen-containing organic polymers MORTON INTERNATIONAL, INC. (US) 1989-06-14 EP disclosed
EP-0182526-A2 Stabilizers for halogen-containing organic polymers comprising an organotin compound and a diester MORTON INTERNATIONAL, INC. (US) 1986-05-28 EP disclosed