SCHEMBL20537417

SCHEMBL20537417

CCC(CCC(C)(C)C)C(=O)OO

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.46
CA1 P00915 4/20 0.46
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 2/20 0.31
USP2 O75604 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
SCHEMBL27870446 0.92 CA2 (0.50) CA2CA1MAPK1GAAXBP1
SCHEMBL30903550 0.79 MEN1 (0.32) CA2CA1GAA
SCHEMBL1505758 0.79 CA2 (0.70) CA2CA1MAPK1GAAXBP1
SCHEMBL247061 0.78
SCHEMBL29032847 0.78 CA2 (0.62) CA2CA1MAPK1GAAXBP1
SCHEMBL14338179 0.77 CA2 (0.45) CA2CA1MAPK1NPSR1TSHR
SCHEMBL3013578 0.77 CA2 (0.61) CA2CA1MAPK1GAA
SCHEMBL3658743 0.76 CA2 (0.60) CA2CA1MAPK1
SCHEMBL8419393 0.76 CA2 (0.60) CA2CA1MAPK1
SCHEMBL27992289 0.76 CA2 (0.50) CA2CA1MAPK1GAAXBP1

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
EP-2840094-B1 COMPOSITE INITIATOR AND USE THEREOF, AND UNSATURATED POLYESTER RESIN COMPOSITION WUHAN KEDA MARBLE PROTECTIVE MAT CO LTD (CN) 2018-10-24 EP claimed
EP-2840093-B1 INITIATOR COMPOSITION WUHAN KEDA MARBLE PROTECTIVE MAT CO LTD (CN) 2018-10-24 EP claimed