SCHEMBL21828702

SCHEMBL21828702

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.57
SLC7A5 Q01650 1/20 0.57
ITGB2 P05107 3/20 0.55
ICAM1 P05362 3/20 0.55
ITGAL P20701 3/20 0.55
SLC15A2 Q16348 1/20 0.53
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
ERAP2 Q6P179 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
LNPEP Q9UIQ6 1/20 0.50
SLC6A5 Q9Y345 1/20 0.49
REN P00797 2/20 0.48
HRH4 Q9H3N8 3/20 0.48
HRH3 Q9Y5N1 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL30595016 1.00 CYP3A4 (0.57) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL29349749 0.96 CYP3A4 (0.53) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL28101246 0.93 REN (0.50) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL29425528 0.92 SLC15A2 (0.49) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL27806348 0.90 CYP3A4 (0.60) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL29728766 0.90 CYP3A4 (0.60) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL21828671 0.89 CYP3A4 (0.68) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL29368268 0.88 SLC15A2 (0.53) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL1161012 0.87 ITGB2 (0.59) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL1229751 0.87 ITGB2 (0.59) CYP3A4SLC7A5ITGB2ICAM1ITGAL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107236021-B Synthetic method of polypeptide derivative 湖北泓肽生物科技有限公司 2020-12-01 CN disclosed
WO-2020071258-A1 PROTEIN GLYCATION SUPPRESSANT 味の素株式会社 2020-04-09 WO disclosed
CN-107236021-A A kind of synthetic method of polypeptide derivative 湖北泓肽生物科技有限公司 2017-10-10 CN disclosed