SCHEMBL9915331

SCHEMBL9915331

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
EGLN1 Q9GZT9 6/20 0.39
BBOX1 O75936 1/20 0.39
ASPH Q12797 1/20 0.39
KDM8 Q8N371 1/20 0.39
PDE5A O76074 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
CETP P11597 3/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 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
SCHEMBL9915333 0.90 PTPRC (0.40) MEN1NPC1RAB9AKMT2ANPSR1
SCHEMBL16744416 0.90 EGLN1 (0.42) EGLN1BBOX1ASPHKDM8PDE5A
SCHEMBL16747451 0.88 ALDH1A1 (0.40) MEN1KMT2AALDH1A1LMNAEGLN1
SCHEMBL9915523 0.81 C5AR1 (0.39) MEN1NPC1RAB9AKMT2A
SCHEMBL16744409 0.80 PTPRC (0.43) MEN1KMT2ANPSR1
SCHEMBL9915323 0.80 NR1H4 (0.41) MEN1KMT2A
SCHEMBL9915381 0.78 NPC1 (0.38) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL9915434 0.78 NR1H4 (0.44) LMNATSHR
SCHEMBL16747516 0.78 CYP2C19 (0.41) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL22022295 0.77 HPGD (0.40) MEN1KMT2AALDH1A1NPSR1TSHR

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