SCHEMBL29176458

SCHEMBL29176458

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.50
▸ SLC6A5 Q9Y345 1/20 0.43
▸ GSR P00390 1/20 0.42
▸ RNPEP Q9H4A4 1/20 0.41
▸ TLR2 O60603 1/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ CPB2 Q96IY4 11/20 0.39
▸ GGT1 P19440 1/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38

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
SCHEMBL29233127 1.00 FOLH1 (0.50) FOLH1SLC6A5GSRRNPEPTLR2
SCHEMBL515443 1.00 FOLH1 (0.50) FOLH1SLC6A5GSRRNPEPTLR2
SCHEMBL2151316 0.92 FOLH1 (0.57) FOLH1SLC6A5GSRRNPEPTLR2
SCHEMBL2151319 0.92 FOLH1 (0.57) FOLH1SLC6A5GSRRNPEPTLR2
Ammonia Solution, Strong SCHEMBL4951257 0.90 FOLH1 (0.56) FOLH1SLC6A5GSRRNPEPTLR2
Hydrochloric Acid SCHEMBL28514579 0.90 FOLH1 (0.56) FOLH1SLC6A5GSRRNPEPTLR2
Water SCHEMBL28303756 0.90 FOLH1 (0.56) FOLH1SLC6A5GSRRNPEPTLR2
Hydrochloric Acid SCHEMBL29268898 0.90 FOLH1 (0.56) FOLH1SLC6A5GSRRNPEPTLR2
Hydrochloric Acid SCHEMBL3647090 0.90 FOLH1 (0.56) FOLH1SLC6A5GSRRNPEPTLR2
SCHEMBL29233125 0.88 FOLH1 (0.44) FOLH1SLC6A5GSRRNPEPTLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117769456-A Bio-based core-shell microcapsules 西姆莱斯股份公司 2024-03-26 — — CN disclosed
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