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SCHEMBL9915323

SCHEMBL9915323

CCCCOc1cn(OCc2ccccc2)c(C(=O)Nc2cccc(CC(=O)OC)c2)cc1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 4/20 0.41
▸ PPARD Q03181 1/20 0.40
▸ MET P08581 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ CCKBR P32239 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ C5AR1 P21730 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 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
SCHEMBL9915523 0.82 C5AR1 (0.39) METMEN1KMT2AC5AR1CNR1
SCHEMBL9915331 0.80 MEN1 (0.40) MEN1KMT2A
SCHEMBL9915333 0.78 PTPRC (0.40) MEN1KMT2ACNR2
SCHEMBL9915520 0.76 NR1H4 (0.45) NR1H4MEN1KMT2A
SCHEMBL16747359 0.76 MAPT (0.44) MEN1KMT2A
SCHEMBL16744418 0.75 MEN1 (0.47) MEN1KMT2ABRD4
SCHEMBL15279079 0.75 TLR7 (0.45) NR1H4PPARDTHRBMEN1KMT2A
SCHEMBL14124973 0.75 PPIA (0.48) NR1H4THRBMEN1KMT2A
SCHEMBL14124972 0.71 KMT2A (0.45) MEN1KMT2A
SCHEMBL16747352 0.71 MEN1 (0.37) MEN1KMT2AC5AR1CNR2

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-2012073138-A1 MONOBACTAMS PFIZER INC. (US) 2012-06-07 — — WO disclosed