SCHEMBL28974409

SCHEMBL28974409

CC(C)(C)OC(=O)NC(Cc1ccc(N2CCN(C3COC3)CC2=O)cc1)C(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.43
CMA1 P23946 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA2B P08514 1/20 0.39
ITGB5 P18084 1/20 0.39
CTSS P25774 6/20 0.39
CTSK P43235 5/20 0.39
SCN9A Q15858 4/20 0.38
AKT1 P31749 1/20 0.38
CCKAR P32238 1/20 0.38
CCKBR P32239 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
PABPC1 P11940 1/20 0.38
NTRK1 P04629 1/20 0.37
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36

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
SCHEMBL28974405 1.00 HDAC8 (0.43) HDAC8CMA1ITGB3ITGB1ITGAV
SCHEMBL23466549 0.94 HDAC8 (0.41) HDAC8ITGB3ITGB1ITGAVITGA2B
SCHEMBL23486338 0.94 HDAC8 (0.41) HDAC8ITGB3ITGB1ITGAVITGA2B
SCHEMBL28974464 0.93 HDAC8 (0.43) HDAC8CMA1ITGB3ITGB1ITGAV
SCHEMBL28974460 0.93 HDAC8 (0.43) HDAC8CMA1ITGB3ITGB1ITGAV
SCHEMBL28974473 0.90 HDAC8 (0.43) HDAC8CMA1ITGB3ITGB1ITGAV
SCHEMBL28974478 0.90 HDAC8 (0.43) HDAC8CMA1ITGB3ITGB1ITGAV
SCHEMBL28974408 0.89 HDAC8 (0.42) HDAC8CMA1ITGB3ITGB1ITGAV
SCHEMBL28974414 0.89 HDAC8 (0.42) HDAC8CMA1ITGB3ITGB1ITGAV
SCHEMBL23466548 0.88 CTSS (0.40) CTSSCTSKSCN9AAKT1CCKAR

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