SCHEMBL28042599

SCHEMBL28042599

C[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.61
AGTR2 P50052 1/20 0.56
ITGB2 P05107 2/20 0.55
ICAM1 P05362 2/20 0.55
ITGAL P20701 2/20 0.55
ACE2 Q9BYF1 1/20 0.54
SLC15A2 Q16348 1/20 0.53
MME P08473 1/20 0.53
ECE1 P42892 1/20 0.53
GHSR Q92847 1/20 0.53
ERAP2 Q6P179 1/20 0.51
ERAP1 Q9NZ08 1/20 0.51
LNPEP Q9UIQ6 1/20 0.51

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
SCHEMBL1229751 0.90 ITGB2 (0.59) RENITGB2ICAM1ITGALSLC15A2
SCHEMBL308989 0.90 ITGB2 (0.59) RENITGB2ICAM1ITGALSLC15A2
SCHEMBL1161012 0.90 ITGB2 (0.59) RENITGB2ICAM1ITGALSLC15A2
SCHEMBL27469252 0.89 ITGB2 (0.58) RENITGB2ICAM1ITGALSLC15A2
SCHEMBL28042757 0.87 SLC15A2 (0.70) RENAGTR2ITGB2ICAM1ITGAL
SCHEMBL28133942 0.86 REN (0.60) RENAGTR2ITGB2ICAM1ITGAL
SCHEMBL27826956 0.86 AGTR2 (0.60) RENAGTR2ITGB2ICAM1ITGAL
SCHEMBL30184773 0.86 AGTR2 (0.60) RENAGTR2ITGB2ICAM1ITGAL
SCHEMBL29971719 0.86 REN (0.60) RENAGTR2ITGB2ICAM1ITGAL
SCHEMBL29368268 0.85 SLC15A2 (0.53) RENITGB2ICAM1ITGALACE2

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-105112177-A Antimicrobial foamable soaps OHSO CLEAN INC 2015-12-02 CN disclosed