SCHEMBL28974403

SCHEMBL28974403

O=C(Nc1cc(Cl)ccc1OC1CCC1)C(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.44
KLKB1 P03952 2/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
F11 P03951 9/20 0.43
S1PR1 P21453 1/20 0.42
PDE4A P27815 1/20 0.42
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 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
SCHEMBL30680273 1.00 MMP1 (0.44) MMP1KLKB1PLGPLAUF11
SCHEMBL23486816 1.00 MMP1 (0.44) MMP1KLKB1PLGPLAUF11
SCHEMBL23486820 0.90 MMP1 (0.42) MMP1KLKB1PLGPLAUF11
SCHEMBL23486821 0.90 MMP1 (0.42) MMP1KLKB1PLGPLAUF11
SCHEMBL30680348 0.87 CMA1 (0.40) MMP1MEN1KMT2A
SCHEMBL23486351 0.87 KLKB1 (0.47) MMP1KLKB1PLGPLAUF11
SCHEMBL28974402 0.86 PDE4A (0.42) F11PDE4AMEN1KMT2A
SCHEMBL29139606 0.85 S1PR1 (0.44) KLKB1F11S1PR1CYP2D6
SCHEMBL23466497 0.84 F11 (0.46) F11S1PR1CYP2D6
SCHEMBL23466496 0.84 F11 (0.46) F11S1PR1CYP2D6

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