SCHEMBL29139601

SCHEMBL29139601

COC(=O)c1ccc(NC(=O)C(Cc2ccc(N3CCN(C)CC3=O)cc2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
HDAC8 Q9BY41 2/20 0.45
AKT1 P31749 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
PTPN1 P18031 2/20 0.40
CTSS P25774 6/20 0.40
CTSK P43235 5/20 0.40
LMNA P02545 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
PABPC1 P11940 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
SCN9A Q15858 1/20 0.38
ITGA4 P13612 1/20 0.38

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
SCHEMBL23486614 1.00 L3MBTL1 (0.46) L3MBTL1HDAC8AKT1CHRM2CHRM1
SCHEMBL24514050 0.96 L3MBTL1 (0.47) L3MBTL1HDAC8AKT1PTPN1CTSS
SCHEMBL29145363 0.96 L3MBTL1 (0.47) L3MBTL1HDAC8AKT1PTPN1CTSS
SCHEMBL28974603 0.92 L3MBTL1 (0.49) L3MBTL1HDAC8AKT1CTSSCTSK
SCHEMBL28974608 0.92 L3MBTL1 (0.49) L3MBTL1HDAC8AKT1CTSSCTSK
SCHEMBL24514134 0.91 L3MBTL1 (0.57) L3MBTL1HDAC8AKT1CTSSCTSK
SCHEMBL23486345 0.86 HDAC8 (0.42) L3MBTL1HDAC8AKT1CHRM2CHRM1
SCHEMBL29139621 0.86 HDAC8 (0.42) L3MBTL1HDAC8AKT1CHRM2CHRM1
SCHEMBL23486475 0.86 CTSS (0.42) L3MBTL1HDAC8AKT1CTSSCTSK
SCHEMBL29139658 0.86 CTSS (0.42) L3MBTL1HDAC8AKT1CTSSCTSK

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 1 patent. 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