SCHEMBL30312568

SCHEMBL30312568

NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.57
▸ SLC15A2 Q16348 1/20 0.57
▸ GNPAT O15228 2/20 0.55
▸ SLC6A5 Q9Y345 1/20 0.46
▸ CPB2 Q96IY4 4/20 0.41
▸ NMT2 O60551 1/20 0.41
▸ NMT1 P30419 1/20 0.41
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ GSR P00390 1/20 0.39

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
SCHEMBL34473976 0.94 SLC15A2 (0.54) FOLH1SLC15A2GNPATSLC6A5CPB2
SCHEMBL28809596 0.91 GNPAT (0.50) FOLH1SLC15A2GNPATSLC6A5CPB2
SCHEMBL1371688 0.91 GNPAT (0.50) FOLH1SLC15A2GNPATSLC6A5CPB2
SCHEMBL30371073 0.91 SLC15A2 (0.62) FOLH1SLC15A2GNPATSLC6A5CPB2
SCHEMBL30964327 0.91 SLC15A2 (0.62) FOLH1SLC15A2GNPATSLC6A5CPB2
SCHEMBL30689091 0.90 FOLH1 (0.68) FOLH1SLC15A2GNPATSLC6A5NMT2
SCHEMBL29670886 0.90 FOLH1 (0.68) FOLH1SLC15A2GNPATSLC6A5NMT2
SCHEMBL1455498 0.87 FOLH1 (0.62) FOLH1SLC15A2GNPATSLC6A5CPB2
SCHEMBL1455499 0.87 FOLH1 (0.62) FOLH1SLC15A2GNPATSLC6A5CPB2
SCHEMBL3460653 0.87 FOLH1 (0.62) FOLH1SLC15A2GNPATSLC6A5CPB2

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
US-11604145-B2 Method for ultra-high performance screening of biological objects SHEMYAKIN-OVCHINNIKOV INSTITUTE OF BIOORGANIC CHEMISTRY OF THE RUSSIAN ACADEMY OF SCIENCES (RU) 2023-03-14 — — US disclosed
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