SCHEMBL9915333

SCHEMBL9915333

CCCCOc1cn(OCc2ccccc2)c(C(=O)NCC(=O)OC(C)(C)C)cc1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.40
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GABRA5 P31644 1/20 0.36
CNR2 P34972 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 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
SCHEMBL16744409 0.92 PTPRC (0.43) PTPRCMEN1KMT2AMAPTTDP1
SCHEMBL9915331 0.90 MEN1 (0.40) MEN1KMT2ANPC1RAB9ANPSR1
SCHEMBL16747452 0.89 PTPRC (0.36) PTPRCMAPTCNR2
SCHEMBL16744416 0.79 EGLN1 (0.42) PTPRC
SCHEMBL16747451 0.78 ALDH1A1 (0.40) MEN1KMT2ANPSR1
SCHEMBL9915323 0.78 NR1H4 (0.41) MEN1KMT2ACNR2
SCHEMBL9915523 0.78 C5AR1 (0.39) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL14124972 0.75 KMT2A (0.45) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL9915381 0.74 NPC1 (0.38) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL9915434 0.74 NR1H4 (0.44)

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