SCHEMBL28599705

SCHEMBL28599705

CCCCCCCC(C)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.55
CTSS P25774 1/20 0.49
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46

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
SCHEMBL30464946 1.00 CTSK (0.55) CTSKCTSSCA1CA2CA7
SCHEMBL4781261 1.00 CTSK (0.55) CTSKCTSSCA1CA2CA7
SCHEMBL28398590 0.98 CTSK (0.56) CTSKCTSSCA1CA2CA7
SCHEMBL24739376 0.98 CTSK (0.56) CTSKCTSSCA1CA2CA7
SCHEMBL24465592 0.98 CTSK (0.56) CTSKCTSSCA1CA2CA7
Hydrochloric Acid SCHEMBL30306646 0.97 CTSK (0.55) CTSKCTSSCA1CA2CA7
SCHEMBL12734600 0.93 CTSK (0.61) CTSKCTSS
SCHEMBL12734596 0.93 CTSK (0.61) CTSKCTSS
SCHEMBL15961701 0.93 CTSK (0.61) CTSKCTSS
SCHEMBL8314800 0.87 TDP1 (0.56) CTSKCTSSCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113135921-A Dihydropyrimidine-spiro derivative and preparation method and application thereof 山东大学 2021-07-20 CN claimed
CN-117794936-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-03-29 CN disclosed
CN-113302196-B EGFR inhibitor, composition and application thereof 贝达药业股份有限公司 2023-08-04 CN disclosed
CN-116529246-A N- [ (1, 3-benzoxazol-2-yl) -heterocycle ] amide derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-08-01 CN disclosed
CN-116261458-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-13 CN disclosed
CN-113135921-B Dihydropyrimidine-spiro derivative and preparation method and application thereof 山东大学 2022-06-17 CN disclosed
CN-113825748-A Antimicrobial compounds and methods 库扎环球有限责任公司 2021-12-21 CN disclosed
CN-113302196-A EGFR inhibitor and composition and application thereof 贝达药业股份有限公司 2021-08-24 CN disclosed
CN-113135921-A Dihydropyrimidine-spiro derivative and preparation method and application thereof 山东大学 2021-07-20 CN disclosed