SCHEMBL7719968

SCHEMBL7719968

CC(C)CCCCCCC(CS)C(=O)[O-].CC(C)CCCCCCC(CS)C(=O)[O-].CCCCCCCC[Sn+2]CCCC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.51
CA1 P00915 2/20 0.42
NFKB1 P19838 3/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CPB2 Q96IY4 2/20 0.35
MMP3 P08254 4/20 0.35
MMP9 P14780 4/20 0.35
GPR84 Q9NQS5 4/20 0.35
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
MMP1 P03956 2/20 0.33
ACE2 Q9BYF1 1/20 0.33
FFAR1 O14842 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
SCHEMBL825638 0.97 CA2 (0.50) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL9065666 0.97 CA2 (0.50) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL11879863 0.93 CA2 (0.59) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL9068224 0.93 CA2 (0.59) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL9247328 0.93 CA2 (0.59) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL11878759 0.87 CA2 (0.55) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL3519177 0.85 CA2 (0.49) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL11883106 0.85 CA2 (0.50) CA2NPSR1FFAR1
Thioglycolic Acid SCHEMBL29013864 0.84 CA1 (0.41) CA2CA1NFKB1GPR84ACE2
SCHEMBL7719925 0.83 CA1 (0.45) CA2CA1NFKB1GPR84ACE2

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-6383648-B1 ACRYLIC COPOLYMER WITH SILYLOXY GROUP, HYDROLYZATE CONDENSATE OF ORGANOSILICON COMPOUND, AND POLYISOCYANATE CROSSLINKING AGENT; SOLVENT RESISTANCE, ANTISOILANTS, ADHESIVES, SHRINKAGE INHIBITION, IMPACT STRENGTH KANEKA CORPORATION (JP) 2002-05-07 US disclosed
EP-0974629-A1 CURABLE COMPOSITION FOR TOPCOATING AND ARTICLES COATED THEREWITH Kaneka Corporation (JP) 2000-01-26 EP disclosed