SCHEMBL29233108

SCHEMBL29233108

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.48
GNAO1 P09471 1/20 0.48
GNAI1 P63096 1/20 0.48
NOD1 Q9Y239 3/20 0.46
TLR2 O60603 2/20 0.46
GSR P00390 1/20 0.42
DPP7 Q9UHL4 4/20 0.42
DPP8 Q6V1X1 2/20 0.42
DPP9 Q86TI2 2/20 0.42
HTR2C P28335 1/20 0.38
NAAA Q02083 1/20 0.38
CPB2 Q96IY4 1/20 0.37
RRM1 P23921 1/20 0.37
DPP4 P27487 1/20 0.37
MAPT P10636 1/20 0.37
GRIK1 P39086 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
GRIK2 Q13002 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
SCHEMBL25173617 1.00 GNAI3 (0.48) GNAI3GNAO1GNAI1NOD1TLR2
SCHEMBL25176592 0.99 GNAI3 (0.50) GNAI3GNAO1GNAI1NOD1TLR2
SCHEMBL25173868 0.95 GNAI3 (0.46) GNAI3GNAO1GNAI1NOD1TLR2
SCHEMBL28284288 0.95 GNAI3 (0.46) GNAI3GNAO1GNAI1NOD1TLR2
SCHEMBL367556 0.92 GNAI3 (0.54) GNAI3GNAO1GNAI1NOD1TLR2
SCHEMBL6840704 0.92 GNAI3 (0.54) GNAI3GNAO1GNAI1NOD1TLR2
SCHEMBL16893986 0.91 GSR (0.44) GNAI3GNAO1GNAI1NOD1TLR2
SCHEMBL28284269 0.91 GSR (0.44) GNAI3GNAO1GNAI1NOD1TLR2
SCHEMBL10614116 0.91 GNAI3 (0.56) GNAI3GNAO1GNAI1NOD1TLR2
SCHEMBL5267100 0.91 GNAI3 (0.56) GNAI3GNAO1GNAI1NOD1TLR2

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