SCHEMBL26622845

SCHEMBL26622845

CCCCC(CC)CCCCCC(CCCC)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.50
CA1 P00915 3/20 0.50
CPB2 Q96IY4 2/20 0.50
TSHR P16473 2/20 0.49
CYP3A4 P08684 2/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK1 P28482 1/20 0.46
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.41

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
SCHEMBL625957 0.89 CA2 (0.57) CA2CA1CPB2MAPK1
SCHEMBL2120551 0.89 CA2 (0.57) CA2CA1CPB2MAPK1
SCHEMBL18143477 0.89 CA2 (0.57) CA2CA1CPB2MAPK1
SCHEMBL9000340 0.89 CA2 (0.57) CA2CA1CPB2MAPK1
SCHEMBL3312232 0.89 CA2 (0.57) CA2CA1CPB2MAPK1
SCHEMBL28793337 0.89 CA2 (0.57) CA2CA1CPB2MAPK1
SCHEMBL23879492 0.87 CPB2 (0.58) CA2CA1CPB2
SCHEMBL571313 0.87 CPB2 (0.58) CA2CA1CPB2
SCHEMBL19148651 0.87 CPB2 (0.58) CA2CA1CPB2
SCHEMBL5516547 0.87 CPB2 (0.58) CA2CA1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795399-B2 UV curable adhesion promoters based on functionalised polyvinyl alcohols MERCK PATENT GMBH (DE) 2023-10-24 US disclosed