SCHEMBL29233077

SCHEMBL29233077

CCCCNC(CCCCN)C(=O)O.N=C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.49
NOD1 Q9Y239 6/20 0.48
TLR2 O60603 2/20 0.45
SIRT6 Q8N6T7 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
FOLH1 Q04609 1/20 0.43
GGT1 P19440 1/20 0.42
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
GSR P00390 1/20 0.39
RNPEP Q9H4A4 1/20 0.38
CPB2 Q96IY4 1/20 0.37
MAPT P10636 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
FURIN P09958 1/20 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
SCHEMBL29233111 0.96 NOD1 (0.50) SLC6A5NOD1TLR2SIRT6SIRT1
SCHEMBL29233172 0.94 NOD1 (0.52) SLC6A5NOD1TLR2SIRT6SIRT1
SCHEMBL29233125 0.93 FOLH1 (0.44) SLC6A5NOD1TLR2SIRT6SIRT1
SCHEMBL8751936 0.92 SLC6A5 (0.55) SLC6A5NOD1TLR2SIRT6SIRT1
SCHEMBL8751938 0.92 SLC6A5 (0.55) SLC6A5NOD1TLR2SIRT6SIRT1
SCHEMBL367557 0.88 NOD1 (0.56) SLC6A5NOD1TLR2SIRT6SIRT1
SCHEMBL367558 0.88 NOD1 (0.56) SLC6A5NOD1TLR2SIRT6SIRT1
SCHEMBL2050730 0.86 NOD1 (0.58) SLC6A5NOD1TLR2SIRT6SIRT1
SCHEMBL199411 0.86 NOD1 (0.58) SLC6A5NOD1TLR2SIRT6SIRT1
SCHEMBL9791228 0.86 NOD1 (0.58) SLC6A5NOD1TLR2SIRT6SIRT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed