SCHEMBL8567553

SCHEMBL8567553

C=CCC(CCCC)C(=O)[O-].C=CCC(CCCC)C(=O)[O-].[Ba+2]

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.58
TSHR P16473 3/20 0.47
CYP3A4 P08684 2/20 0.47
NFKB1 P19838 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPK1 P28482 1/20 0.42
CA1 P00915 6/20 0.41
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
CPA1 P15085 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL8572256 0.96 CA2 (0.58) CA2TSHRCYP3A4NFKB1NPSR1
Potassium Ion SCHEMBL10758467 0.96 CA2 (0.58) CA2TSHRCYP3A4NFKB1NPSR1
Lithium Ion SCHEMBL8771471 0.89 CA2 (0.62) CA2TSHRCYP3A4NFKB1NPSR1
SCHEMBL10970293 0.89 CA2 (0.62) CA2TSHRCYP3A4NFKB1NPSR1
SCHEMBL9503415 0.89 CA2 (0.68) CA2TSHRCYP3A4NFKB1NPSR1
SCHEMBL8771363 0.89 CA2 (0.68) CA2TSHRCYP3A4NFKB1NPSR1
SCHEMBL3968081 0.82 CA2 (0.47) CA2TSHRMAPK1CA1SLC1A3
SCHEMBL2081268 0.81 CA2 (0.61) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL570260 0.81 CA2 (0.61) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL5067753 0.81 CA2 (0.46) CA2TSHRMAPK1CA1SLC1A3

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
US-5846615-A Direct deposition of a gold layer THE WHITAKER CORPORATION (US) 1998-12-08 US disclosed
WO-1998038350-A1 DIRECT DEPOSITION OF GOLD THE WHITAKER CORPORATION (US) 1998-09-03 WO disclosed
US-5021398-A Coating substrate with unsaturated acid metal salts; photopolymerization, pyrolysis AMP INCORPORATED (US) 1991-06-04 US disclosed