SCHEMBL30680348

SCHEMBL30680348

O=C(Nc1cc(Cl)ccc1OC1CCC1)C(=O)NC(Cc1ccccc1)C(=O)Nc1ccccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
GRIK1 P39086 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MMP1 P03956 1/20 0.38
AVPR1A P37288 2/20 0.38
PSMB5 P28074 1/20 0.38
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37

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 0.87 MMP1 (0.44) MEN1KMT2AMMP1
SCHEMBL23486816 0.87 MMP1 (0.44) MEN1KMT2AMMP1
SCHEMBL28974403 0.87 MMP1 (0.44) MEN1KMT2AMMP1
SCHEMBL30680264 0.86 NPC1 (0.42) CMA1NPC1RAB9AGRIK1MEN1
SCHEMBL29758151 0.82 CMA1 (0.40) CMA1NPC1RAB9AGRIK1MEN1
SCHEMBL23486820 0.81 MMP1 (0.42) MEN1KMT2AMMP1
SCHEMBL23486821 0.81 MMP1 (0.42) MEN1KMT2AMMP1
SCHEMBL23486883 0.81 CAPN1 (0.45) IRAK4MEN1KMT2A
SCHEMBL30680344 0.79 GRIK1 (0.55) NPC1RAB9AGRIK1MEN1KMT2A
SCHEMBL29758134 0.79 NPC1 (0.40) NPC1RAB9AIRAK4GRIK1MEN1

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