SCHEMBL28974541

SCHEMBL28974541

CC(C)(C)OC(=O)NC(Cc1ccc(N2CCOCC2=O)cc1)C(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.52
HDAC8 Q9BY41 1/20 0.47
PTGS2 P35354 2/20 0.45
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL28974538 1.00 F10 (0.52) F10HDAC8PTGS2CTSSCTSK
SCHEMBL23466729 0.93 F10 (0.52) F10HDAC8PTGS2
SCHEMBL23466730 0.93 F10 (0.52) F10HDAC8PTGS2
SCHEMBL28974608 0.86 L3MBTL1 (0.49) HDAC8CTSSCTSK
SCHEMBL28974603 0.86 L3MBTL1 (0.49) HDAC8CTSSCTSK
SCHEMBL28974460 0.85 HDAC8 (0.43) F10HDAC8CTSSCTSK
SCHEMBL28974640 0.85 HDAC8 (0.47) HDAC8CTSSCTSK
SCHEMBL28974642 0.85 HDAC8 (0.47) HDAC8CTSSCTSK
SCHEMBL13755807 0.84 F10 (0.65) F10PTGS2
SCHEMBL28974416 0.84 HDAC8 (0.46) HDAC8CTSSCTSK

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-114728917-B Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-12-08 CN disclosed
CN-114728917-A Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 CN disclosed