SCHEMBL27360596

SCHEMBL27360596

CCCCC(=O)n1cc(CCNC(=O)OC(C)(C)C)nc1N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
GFER P55789 1/20 0.38
TLR7 Q9NYK1 2/20 0.37
NR2F2 P24468 1/20 0.37
RAB9A P51151 1/20 0.37
BRD4 O60885 2/20 0.36

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
SCHEMBL12764747 0.75 SCN3A (0.40) MEN1KMT2APOLBMAPT
SCHEMBL1518177 0.74 MEN1 (0.41) MEN1KMT2ALMNATSHRPOLB
SCHEMBL1518244 0.74 MEN1 (0.41) MEN1KMT2ALMNATSHRPOLB
SCHEMBL12821621 0.73 SCN3A (0.41) MEN1KMT2ALMNATSHRPOLB
SCHEMBL8992458 0.72 MEN1 (0.42) HTTMEN1KMT2ALMNATSHR
SCHEMBL18839125 0.71 NPSR1 (0.42) HTTSIGMAR1MEN1KMT2APOLB
SCHEMBL8992436 0.70 NPSR1 (0.43) HTTMEN1KMT2ALMNATSHR
SCHEMBL1518264 0.69 MIF (0.40) ALDH1A1
SCHEMBL1518152 0.69 SCN3A (0.39)
SCHEMBL16765682 0.68 NQO2 (0.50) HTTLMNAPOLBALDH1A1CA1

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-1056608-C Imidazole group-containing pseudodipeptide products and uses thereof EXSYMOL SA MONEGASQUE (MC) 2000-09-20 CN disclosed