SCHEMBL23486351

SCHEMBL23486351

O=C(Nc1cc(Cl)ccc1OCC1CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 4/20 0.47
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
F11 P03951 10/20 0.45
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
MMP1 P03956 2/20 0.43
S1PR1 P21453 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
KLK1 P06870 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL23486348 0.90 KLKB1 (0.43) KLKB1PLGPLAUF11PRSS1
SCHEMBL23486350 0.90 KLKB1 (0.43) KLKB1PLGPLAUF11PRSS1
SCHEMBL30680264 0.87 NPC1 (0.42) MEN1KMT2A
SCHEMBL28974403 0.87 MMP1 (0.44) KLKB1PLGPLAUF11PRSS1
SCHEMBL30680273 0.87 MMP1 (0.44) KLKB1PLGPLAUF11PRSS1
SCHEMBL23486816 0.87 MMP1 (0.44) KLKB1PLGPLAUF11PRSS1
SCHEMBL29758157 0.86 F11 (0.45) KLKB1F11S1PR1KLK1
SCHEMBL23466522 0.86 F11 (0.45) KLKB1F11S1PR1KLK1
SCHEMBL23466521 0.86 F11 (0.45) KLKB1F11S1PR1KLK1
SCHEMBL29139606 0.85 S1PR1 (0.44) KLKB1F11S1PR1KLK1

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
WO-2021110076-A1 OXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 深圳信立泰药业股份有限公司 2021-06-10 WO disclosed