SCHEMBL28974608

SCHEMBL28974608

CN1CCN(c2ccc(CC(NC(=O)OC(C)(C)C)C(=O)Nc3ccc(C(=O)O)cc3)cc2)C(=O)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
HDAC8 Q9BY41 1/20 0.47
AKT1 P31749 1/20 0.43
CMA1 P23946 1/20 0.42
CTSS P25774 7/20 0.42
CTSK P43235 6/20 0.42
CTSB P07858 2/20 0.41
CTSL P07711 1/20 0.41
SCN9A Q15858 3/20 0.41
CCKAR P32238 1/20 0.41
CCKBR P32239 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA2B P08514 1/20 0.41
ITGB5 P18084 1/20 0.41
NTRK1 P04629 1/20 0.39
PABPC1 P11940 1/20 0.39

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
SCHEMBL28974603 1.00 L3MBTL1 (0.49) L3MBTL1HDAC8AKT1CMA1CTSS
SCHEMBL24514050 0.93 L3MBTL1 (0.47) L3MBTL1HDAC8AKT1CTSSCTSK
SCHEMBL29145363 0.93 L3MBTL1 (0.47) L3MBTL1HDAC8AKT1CTSSCTSK
SCHEMBL29139601 0.92 L3MBTL1 (0.46) L3MBTL1HDAC8AKT1CTSSCTSK
SCHEMBL23486614 0.92 L3MBTL1 (0.46) L3MBTL1HDAC8AKT1CTSSCTSK
SCHEMBL24514134 0.91 L3MBTL1 (0.57) L3MBTL1HDAC8AKT1CTSSCTSK
SCHEMBL28974476 0.90 CTSS (0.43) HDAC8AKT1CMA1CTSSCTSK
SCHEMBL28974482 0.90 CTSS (0.43) HDAC8AKT1CMA1CTSSCTSK
SCHEMBL28974559 0.90 HDAC8 (0.46) L3MBTL1HDAC8AKT1CMA1CTSS
SCHEMBL28974416 0.90 HDAC8 (0.46) HDAC8AKT1CMA1CTSSCTSK

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