SCHEMBL29139637

SCHEMBL29139637

CC(C)(C)OC(=O)Cc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
KDM1A O60341 9/20 0.46
MAOA P21397 7/20 0.46
RCOR1 Q9UKL0 3/20 0.46
KDM1B Q8NB78 1/20 0.46
PTPN1 P18031 1/20 0.45
MAOB P27338 2/20 0.45
CTSS P25774 1/20 0.45

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
SCHEMBL31369575 0.89 MDM4 (0.50) MDM2PTPN1
SCHEMBL23466663 0.88 KLKB1 (0.52) KDM1AMAOARCOR1KDM1BPTPN1
SCHEMBL23466664 0.88 KLKB1 (0.52) KDM1AMAOARCOR1KDM1BPTPN1
SCHEMBL30597654 0.85 CTSS (0.54) PTPN1CTSS
SCHEMBL14039181 0.84 MDM2 (0.62) MDM2HDAC8PTPN1
SCHEMBL29445607 0.84 MDM2 (0.62) MDM2HDAC8PTPN1
SCHEMBL3728072 0.84 MDM2 (0.62) MDM2HDAC8PTPN1
SCHEMBL29401511 0.84 MDM2 (0.62) MDM2HDAC8PTPN1
SCHEMBL2307978 0.84 MDM2 (0.62) MDM2HDAC8PTPN1
SCHEMBL4547179 0.84 MDM2 (0.48) MDM2HDAC8

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