SCHEMBL29233125

SCHEMBL29233125

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.44
▸ SLC6A5 Q9Y345 1/20 0.44
▸ TLR2 O60603 2/20 0.43
▸ GGT1 P19440 1/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ NOD1 Q9Y239 1/20 0.40
▸ GSR P00390 1/20 0.40
▸ GNAI3 P08754 1/20 0.39
▸ GNAO1 P09471 1/20 0.39
▸ GNAI1 P63096 1/20 0.39
▸ RNPEP Q9H4A4 1/20 0.39
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ CPB2 Q96IY4 7/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35

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
SCHEMBL29233077 0.93 SLC6A5 (0.49) FOLH1SLC6A5TLR2GGT1SIRT6
SCHEMBL5023570 0.92 FOLH1 (0.50) FOLH1SLC6A5TLR2GGT1SIRT6
SCHEMBL5023568 0.92 FOLH1 (0.50) FOLH1SLC6A5TLR2GGT1SIRT6
SCHEMBL29233111 0.91 NOD1 (0.50) FOLH1SLC6A5TLR2GGT1SIRT6
SCHEMBL29233172 0.90 NOD1 (0.52) FOLH1SLC6A5TLR2GGT1SIRT6
SCHEMBL29233127 0.88 FOLH1 (0.50) FOLH1SLC6A5TLR2GGT1SIRT6
SCHEMBL29176458 0.88 FOLH1 (0.50) FOLH1SLC6A5TLR2GGT1SIRT6
SCHEMBL515443 0.88 FOLH1 (0.50) FOLH1SLC6A5TLR2GGT1SIRT6
SCHEMBL8751938 0.84 SLC6A5 (0.55) FOLH1SLC6A5TLR2GGT1SIRT6
SCHEMBL8751936 0.84 SLC6A5 (0.55) FOLH1SLC6A5TLR2GGT1SIRT6

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
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