SCHEMBL28974640

SCHEMBL28974640

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(N2CC[C@H](O)CC2=O)cc1)C(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.47
CMA1 P23946 1/20 0.43
PABPC1 P11940 1/20 0.42
CTSS P25774 6/20 0.42
CTSK P43235 5/20 0.42
SCN9A Q15858 5/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 1/20 0.41
AKT1 P31749 1/20 0.41
CCKAR P32238 1/20 0.41
CCKBR P32239 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGAV P06756 1/20 0.40
ITGA2B P08514 1/20 0.40
ITGB5 P18084 1/20 0.40

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
SCHEMBL28974642 1.00 HDAC8 (0.47) HDAC8CMA1PABPC1CTSSCTSK
SCHEMBL23466768 0.93 HDAC8 (0.45) HDAC8PABPC1CTSSCTSKSCN9A
SCHEMBL23486727 0.93 HDAC8 (0.45) HDAC8PABPC1CTSSCTSKSCN9A
SCHEMBL23466767 0.87 CTSS (0.43) CTSSCTSKSCN9ACTSLCTSB
SCHEMBL28974473 0.87 HDAC8 (0.43) HDAC8CMA1PABPC1CTSSCTSK
SCHEMBL28974478 0.87 HDAC8 (0.43) HDAC8CMA1PABPC1CTSSCTSK
SCHEMBL28974603 0.86 L3MBTL1 (0.49) HDAC8CMA1PABPC1CTSSCTSK
SCHEMBL28974608 0.86 L3MBTL1 (0.49) HDAC8CMA1PABPC1CTSSCTSK
SCHEMBL28974541 0.85 F10 (0.52) HDAC8CTSSCTSK
SCHEMBL28974538 0.85 F10 (0.52) 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