SCHEMBL29233124

SCHEMBL29233124

CCOC(=O)[C@@H](N)CCCCN.N=C=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.51
GSR P00390 1/20 0.47
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
CYP1A2 P05177 1/20 0.42
DPP7 Q9UHL4 8/20 0.39
DPP8 Q6V1X1 4/20 0.39
DPP9 Q86TI2 4/20 0.39
NOD1 Q9Y239 2/20 0.38
TLR2 O60603 2/20 0.36
DPP4 P27487 2/20 0.35
RNPEP Q9H4A4 1/20 0.34

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
SCHEMBL25176286 1.00 CPB2 (0.51) CPB2GSRGNAI3GNAO1GNAI1
SCHEMBL28248852 1.00 CPB2 (0.51) CPB2GSRGNAI3GNAO1GNAI1
SCHEMBL1552195 1.00 CPB2 (0.51) CPB2GSRGNAI3GNAO1GNAI1
SCHEMBL23165853 1.00 CPB2 (0.51) CPB2GSRGNAI3GNAO1GNAI1
SCHEMBL1390932 1.00 CPB2 (0.51) CPB2GSRGNAI3GNAO1GNAI1
SCHEMBL11511459 0.91 CPB2 (0.59) CPB2GSRGNAI3GNAO1GNAI1
SCHEMBL249147 0.91 CPB2 (0.59) CPB2GSRGNAI3GNAO1GNAI1
SCHEMBL213480 0.91 CPB2 (0.59) CPB2GSRGNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL3395631 0.90 CPB2 (0.57) CPB2GSRGNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL2497633 0.90 CPB2 (0.57) CPB2GSRGNAI3GNAO1GNAI1

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