SCHEMBL29027445

SCHEMBL29027445

CC(C)(C)OOC(C)(C)OC(=O)O.CCCCC(CC)C(OOC(C)(C)C)OC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.33
MAPK1 P28482 1/20 0.33
CA1 P00915 2/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL165679 0.91 CA2 (0.40) CA2MAPK1CA1CTSSCTSK
SCHEMBL165678 0.81 CA2 (0.38) CA2MAPK1CA1CTSSCTSK
SCHEMBL114019 0.80 CA2 (0.38) CA2MAPK1CA1
SCHEMBL30457066 0.79 CA2 (0.37) CA2MAPK1CA1
SCHEMBL31164257 0.79 CA2 (0.37) CA2MAPK1CA1
SCHEMBL28915574 0.79 CTSK (0.31) CA2MAPK1CTSK
SCHEMBL28072672 0.78 CA1 (0.30) CA2CA1
SCHEMBL27138732 0.78 CA2 (0.36) CA2MAPK1CA1
SCHEMBL30690845 0.78 CYP3A4 (0.32)
SCHEMBL28970417 0.78 CA2 (0.35) CA2MAPK1CA1

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
CN-113265129-B Foaming-grade polylactic acid with excellent processing fluidity and preparation method thereof 汕头市三马塑胶制品有限公司 2022-10-11 CN disclosed