SCHEMBL29463403

SCHEMBL29463403

CCCC(N[C@@H](CCCCN)C(=O)O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.49
▸ SLC6A5 Q9Y345 1/20 0.48
▸ GSR P00390 1/20 0.44
▸ RNPEP Q9H4A4 1/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ TLR2 O60603 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ CPB2 Q96IY4 9/20 0.40
▸ GNAI3 P08754 1/20 0.40
▸ GNAO1 P09471 1/20 0.40
▸ GNAI1 P63096 1/20 0.40
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.37

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
SCHEMBL28741345 0.89 FOLH1 (0.51) FOLH1SLC6A5GSRRNPEPSIRT6
SCHEMBL29291292 0.85 FOLH1 (0.47) FOLH1SLC6A5GSRRNPEPSIRT6
SCHEMBL209237 0.80 FOLH1 (0.53) FOLH1SLC6A5GSRRNPEPMMP2
SCHEMBL3727817 0.80 FOLH1 (0.53) FOLH1SLC6A5GSRRNPEPMMP2
SCHEMBL1413149 0.80 FOLH1 (0.53) FOLH1SLC6A5GSRRNPEPMMP2
SCHEMBL24376227 0.80 SLC6A5 (0.52) FOLH1SLC6A5GSRRNPEPSIRT6
SCHEMBL7262078 0.80 SLC6A5 (0.49) FOLH1SLC6A5GSRRNPEPSIRT6
SCHEMBL1443498 0.80 FOLH1 (0.56) FOLH1SLC6A5GSRRNPEPMMP2
SCHEMBL1443500 0.80 FOLH1 (0.56) FOLH1SLC6A5GSRRNPEPMMP2
SCHEMBL3389707 0.79 SLC6A5 (0.54) FOLH1SLC6A5SIRT6SIRT1TLR2

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-110496645-B Supported aminoalkyl ion liquid-metal catalyst and preparation and application thereof 浙江工业大学 2022-03-18 — — CN disclosed
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