SCHEMBL29588307

SCHEMBL29588307

NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC15A2 Q16348 1/20 0.47
ERAP2 Q6P179 3/20 0.39
LNPEP Q9UIQ6 3/20 0.39
ECE1 P42892 1/20 0.38
FOLH1 Q04609 1/20 0.38
TLR2 O60603 1/20 0.37
GHSR Q92847 1/20 0.37
NMT2 O60551 2/20 0.36
NMT1 P30419 2/20 0.36
PSMB1 P20618 1/20 0.36
PSMB8 P28062 1/20 0.36
PSMB9 P28065 1/20 0.36
PSMB5 P28074 1/20 0.36
PSMB10 P40306 1/20 0.36
PSMB2 P49721 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
C5AR1 P21730 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
SCHEMBL29519574 1.00 SLC15A2 (0.47) SLC15A2ERAP2LNPEPECE1FOLH1
SCHEMBL29940001 0.95 SLC15A2 (0.49) SLC15A2ERAP2LNPEPECE1FOLH1
SCHEMBL1071387 0.95 SLC15A2 (0.48) SLC15A2ERAP2LNPEPECE1FOLH1
SCHEMBL1071384 0.95 SLC15A2 (0.48) SLC15A2ERAP2LNPEPECE1FOLH1
SCHEMBL31453801 0.94 SLC15A2 (0.51) SLC15A2ERAP2LNPEPECE1FOLH1
SCHEMBL29849009 0.94 SLC15A2 (0.51) SLC15A2ERAP2LNPEPECE1FOLH1
Glycine SCHEMBL22289294 0.93 SLC15A2 (0.49) SLC15A2ERAP2LNPEPECE1FOLH1
SCHEMBL5598601 0.92 SLC15A2 (0.49) SLC15A2ERAP2LNPEPECE1FOLH1
SCHEMBL5598605 0.92 SLC15A2 (0.49) SLC15A2ERAP2LNPEPECE1FOLH1
SCHEMBL31453794 0.92 SLC15A2 (0.46) SLC15A2ERAP2LNPEPECE1FOLH1

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-114380695-A Novel method for simply and quickly realizing C-C bond forming reaction 吉林大学 2022-04-22 CN claimed
CN-114380695-A Novel method for simply and quickly realizing C-C bond forming reaction 吉林大学 2022-04-22 CN disclosed