SCHEMBL28569212

SCHEMBL28569212

CCCCC(OOCC)C(=O)OC(C)(C)CCC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.40
CA1 P00915 3/20 0.40
MAPK1 P28482 1/20 0.33
CTSK P43235 2/20 0.32
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL891323 0.89 CA2 (0.38) CA2CA1MAPK1CTSKCYP3A4
SCHEMBL19206689 0.87 CA2 (0.36) CA2CA1MAPK1CTSK
SCHEMBL210607 0.86 CA2 (0.40) CA2CA1MAPK1CTSK
SCHEMBL7757454 0.84 CA2 (0.34) CA2CA1MAPK1CTSK
SCHEMBL28360070 0.76 CA2 (0.36) CA2CA1MAPK1CTSK
SCHEMBL5916192 0.76 CTSK (0.34) CA2CA1CTSK
SCHEMBL27650517 0.76 CA2 (0.46) CA2CA1MAPK1CTSKCYP3A4
SCHEMBL29044122 0.76 CA2 (0.65) CA2CA1MAPK1CTSKCYP3A4
SCHEMBL6790209 0.74 NAAA (0.43) CA2CA1MAPK1CYP3A4TSHR
SCHEMBL28419748 0.74 CA2 (0.53) CA2CA1MAPK1CYP3A4TSHR

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-106977754-B Prepreg and method for producing same 三菱化学株式会社 2021-05-28 CN disclosed