SCHEMBL11012005

SCHEMBL11012005

CCCCCCCCC(S)C(=O)[O-].CCCCCCCCC(S)C(=O)[O-].CCCCCC[Sn+2]CCCCCC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.49
CA1 P00915 2/20 0.47
GPR84 Q9NQS5 8/20 0.41
FFAR1 O14842 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPT P10636 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
CES2 O00748 2/20 0.36
CES1 P23141 2/20 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
SCHEMBL11766377 1.00 CA2 (0.49) CA2CA1GPR84FFAR1NFKB1
SCHEMBL11828676 1.00 CA2 (0.49) CA2CA1GPR84FFAR1NFKB1
SCHEMBL11037177 1.00 CA2 (0.49) CA2CA1GPR84FFAR1NFKB1
SCHEMBL8778100 1.00 CA2 (0.49) CA2CA1GPR84FFAR1NFKB1
SCHEMBL5367164 0.97 CA2 (0.49) CA2CA1GPR84FFAR1NFKB1
SCHEMBL11734687 0.97 CA2 (0.49) CA2CA1GPR84FFAR1NFKB1
SCHEMBL10609789 0.97 CA2 (0.49) CA2CA1GPR84FFAR1NFKB1
SCHEMBL10889606 0.97 CA2 (0.49) CA2CA1GPR84FFAR1NFKB1
SCHEMBL11734842 0.97 CA2 (0.49) CA2CA1GPR84FFAR1NFKB1
SCHEMBL1684086 0.94 CA1 (0.46) CA2CA1GPR84FFAR1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4551258-A ZINC DITHIOPHOSPHATE, PHOSPHORIC ACID ESTER, AND ORGANOTIN COMPOUNF IDEMITSU KOSAN COMPANY LIMITED (JP) 1985-11-05 US claimed
US-4551258-A ZINC DITHIOPHOSPHATE, PHOSPHORIC ACID ESTER, AND ORGANOTIN COMPOUNF IDEMITSU KOSAN COMPANY LIMITED (JP) 1985-11-05 US disclosed