SCHEMBL6465618

SCHEMBL6465618

CCCCCCCCCCCCCCC(S)C(=O)[O-].CCCCCCCCCCCCCCC(S)C(=O)[O-].CCCCCCCCCCCCCCC(S)C(=O)[O-].CCCC[Sn+3]

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
CA1 P00915 2/20 0.48
GPR84 Q9NQS5 8/20 0.42
FFAR1 O14842 1/20 0.40
NFKB1 P19838 1/20 0.40
ZDHHC7 Q9NXF8 1/20 0.40
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL10332228 1.00 CA2 (0.50) CA2CA1GPR84FFAR1NFKB1
SCHEMBL5829181 0.96 CA2 (0.50) CA2CA1GPR84FFAR1NFKB1
SCHEMBL5829515 0.96 CA2 (0.50) CA2CA1GPR84FFAR1NFKB1
SCHEMBL5829994 0.96 CA2 (0.50) CA2CA1GPR84FFAR1NFKB1
SCHEMBL5829518 0.96 CA2 (0.50) CA2CA1GPR84FFAR1NFKB1
SCHEMBL11042185 0.96 CA2 (0.50) CA2CA1GPR84FFAR1NFKB1
SCHEMBL4153925 0.92 CA1 (0.44) CA2CA1GPR84FFAR1NFKB1
SCHEMBL16447939 0.91 CA2 (0.55) CA2CA1GPR84FFAR1NFKB1
SCHEMBL11152048 0.91 CA2 (0.55) CA2CA1GPR84FFAR1NFKB1
SCHEMBL2934933 0.90 CA1 (0.47) 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-6887926-B1 Bonding compositions for chlorinated polymers and methods of using the same OATEY CO. (US) 2005-05-03 US disclosed
US-4743640-A HEAT AND LIGHT RESISTANCE CIBA-GEIGY CORPORATION (US) 1988-05-10 US disclosed