SCHEMBL29233172

SCHEMBL29233172

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 4/20 0.52
TLR2 O60603 2/20 0.52
SIRT6 Q8N6T7 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
SLC6A5 Q9Y345 1/20 0.50
GNAI3 P08754 1/20 0.49
GNAO1 P09471 1/20 0.49
GNAI1 P63096 1/20 0.49
MAPT P10636 1/20 0.41
FOLH1 Q04609 3/20 0.41
RRM1 P23921 1/20 0.41
FURIN P09958 1/20 0.41
GGT1 P19440 1/20 0.40
DPP7 Q9UHL4 1/20 0.39
GPR84 Q9NQS5 3/20 0.39
FFAR1 O14842 1/20 0.39

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 0.99 NOD1 (0.50) NOD1TLR2SIRT6SIRT1SLC6A5
SCHEMBL29233077 0.94 SLC6A5 (0.49) NOD1TLR2SIRT6SIRT1SLC6A5
SCHEMBL31042212 0.93 NOD1 (0.58) NOD1TLR2SIRT6SIRT1SLC6A5
SCHEMBL2701831 0.93 NOD1 (0.58) NOD1TLR2SIRT6SIRT1SLC6A5
SCHEMBL31050906 0.93 NOD1 (0.58) NOD1TLR2SIRT6SIRT1SLC6A5
SCHEMBL2050730 0.93 NOD1 (0.58) NOD1TLR2SIRT6SIRT1SLC6A5
SCHEMBL7460571 0.93 NOD1 (0.58) NOD1TLR2SIRT6SIRT1SLC6A5
SCHEMBL9791228 0.93 NOD1 (0.58) NOD1TLR2SIRT6SIRT1SLC6A5
SCHEMBL285285 0.93 NOD1 (0.58) NOD1TLR2SIRT6SIRT1SLC6A5
SCHEMBL199411 0.93 NOD1 (0.58) NOD1TLR2SIRT6SIRT1SLC6A5

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