SCHEMBL20192829

SCHEMBL20192829

NCCOC(=O)NCC(=O)NC[C@H](N)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GFPT1 Q06210 1/20 0.39
▸ CTH P32929 1/20 0.36
▸ PRSS1 P07477 1/20 0.35
▸ TPSAB1 Q15661 1/20 0.35
▸ TPSD1 Q9BZJ3 1/20 0.35
▸ TPSG1 Q9NRR2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GSR P00390 1/20 0.33
▸ SLC1A3 P43003 1/20 0.32
▸ SLC1A1 P43005 1/20 0.32
▸ MMP2 P08253 1/20 0.31
▸ CASR P41180 3/20 0.31

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
SCHEMBL20192910 0.83 PRSS1 (0.35) CTHPRSS1TPSAB1TPSD1TPSG1
SCHEMBL16447372 0.80 GFPT1 (0.34) GFPT1
SCHEMBL20178594 0.80 GFPT1 (0.34) GFPT1
SCHEMBL20192957 0.79 GFPT1 (0.37) GFPT1CTHLMNAGSRMMP2
SCHEMBL16446798 0.79 GFPT1 (0.40) GFPT1PRSS1TPSAB1TPSD1TPSG1
SCHEMBL16446924 0.79 SLC1A3 (0.37) GFPT1PRSS1TPSAB1TPSD1TPSG1
SCHEMBL20178596 0.79 SLC1A3 (0.37) GFPT1PRSS1TPSAB1TPSD1TPSG1
SCHEMBL23817748 0.76 GFPT1 (0.41) GFPT1CTHLMNAGSRMMP2
SCHEMBL23455605 0.75 MEN1 (0.46) GFPT1CASR
SCHEMBL23455458 0.75 MEN1 (0.46) GFPT1CASR

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-9981908-B2 Amino acid derivatives MEDIMMUNE LIMITED (GB) 2018-05-29 — — US disclosed
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