SCHEMBL28974402

SCHEMBL28974402

O=C(Nc1cc(Cl)ccc1OC1CCC1)C(=O)N[C@H](CNc1ccc(C(=O)O)cc1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.42
F11 P03951 7/20 0.38
PDE4B Q07343 4/20 0.37
PDE4C Q08493 4/20 0.37
PDE4D Q08499 4/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PTGER1 P34995 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FAAH O00519 1/20 0.35
EPHX2 P34913 1/20 0.35
LTA4H P09960 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35

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 0.86 MMP1 (0.44) PDE4AF11MEN1KMT2A
SCHEMBL28974403 0.86 MMP1 (0.44) PDE4AF11MEN1KMT2A
SCHEMBL23486816 0.86 MMP1 (0.44) PDE4AF11MEN1KMT2A
SCHEMBL28974423 0.79 GRIK1 (0.43) F11ADRB2ADRB1ADRB3
SCHEMBL23486883 0.79 CAPN1 (0.45) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL28974391 0.78 IRAK4 (0.41) F11SMN1; SMN2ALDH1A1LTA4HIRAK4
SCHEMBL23486820 0.78 MMP1 (0.42) F11MEN1KMT2ANPSR1
SCHEMBL23486821 0.78 MMP1 (0.42) F11MEN1KMT2ANPSR1
SCHEMBL28974365 0.78 CTSD (0.42) F11ADRB3
SCHEMBL28974592 0.77 F11 (0.41) F11SMN1; SMN2ALDH1A1

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-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