SCHEMBL11049359

SCHEMBL11049359

CCC(CC)C(=O)OOC(CC)(CC)OOC(=O)C(CC)CC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL11884287 0.81 CA2 (0.38) CA2CA1USP2TSHRMAPK1
SCHEMBL3068632 0.80 CA2 (0.41) CA2CA1USP2TSHRMAPK1
SCHEMBL633191 0.78 CA2 (0.44) CA2CA1USP2TSHRMAPK1
SCHEMBL10027740 0.77 CA2 (0.38) CA2CA1USP2TSHRMAPK1
SCHEMBL2743524 0.77 CA2 (0.38) CA2CA1USP2TSHRMAPK1
SCHEMBL10714796 0.75 CA2 (0.37) CA2CA1USP2TSHRMAPK1
SCHEMBL28610305 0.74 CA2 (0.40) CA2CA1TSHRMAPK1
SCHEMBL1421190 0.74 CA2 (0.36) CA2CA1TSHRMAPK1ALDH1A1
SCHEMBL10714513 0.74 CA2 (0.40) CA2CA1MAPK1
SCHEMBL308114 0.72 CA2 (0.38) CA2CA1USP2TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4443376-A VINYL CHLORIDE POLYMERIZATION CATALYST, POLYESTER RESIN CURING ARGUS CHEMICAL CORPORATION (US) 1984-04-17 US disclosed
EP-0043402-B1 GEM-DIPEROXYESTERS Argus Chemical Corporation (US) 1983-09-21 EP disclosed
US-4370459-A Polymerizing unsaturated monomers with gem-diperoxyester catalyst ARGUS CHEMICAL CORPORATION (US) 1983-01-25 US disclosed
EP-0043402-A1 Gem-diperoxyesters Argus Chemical Corporation (US) 1982-01-13 EP disclosed