SCHEMBL30475458

SCHEMBL30475458

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.54
CA1 P00915 5/20 0.54
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BIRC2 Q13490 4/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CTSK P43235 2/20 0.35
XBP1 P17861 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.34
PSENEN Q9NZ42 1/20 0.34

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
SCHEMBL27933679 0.98 CA2 (0.53) CA2CA1GAAMEN1KMT2A
SCHEMBL29147476 0.90 CA2 (0.44) CA2CA1GAAMEN1KMT2A
SCHEMBL28587684 0.88 CA1 (0.40) CA2CA1GAAMEN1KMT2A
SCHEMBL27889133 0.86 ZDHHC7 (0.41) CA2CA1GAAMEN1KMT2A
SCHEMBL27872754 0.86 ZDHHC7 (0.41) CA2CA1GAAMEN1KMT2A
SCHEMBL29264683 0.85 CA2 (0.43) CA2CA1GAAMEN1KMT2A
SCHEMBL31480565 0.85 CA2 (0.43) CA2CA1GAAMEN1KMT2A
SCHEMBL29013172 0.85 CA1 (0.56) CA2CA1GAAMEN1KMT2A
SCHEMBL27872771 0.84 CA2 (0.64) CA2CA1GAAMEN1KMT2A
SCHEMBL30499378 0.84 ACE2 (0.45) CA2CA1GAAMEN1KMT2A

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
CN-112469720-B Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy 艾科思莱德制药公司 2024-03-29 CN disclosed
CN-116322700-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-23 CN disclosed