SCHEMBL28101252

SCHEMBL28101252

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 3/20 0.51
▸ ANPEP P15144 1/20 0.51
▸ ITGB2 P05107 2/20 0.48
▸ ICAM1 P05362 2/20 0.48
▸ ITGAL P20701 2/20 0.48
▸ REN P00797 9/20 0.48
▸ SLC15A2 Q16348 1/20 0.47
▸ CYP3A4 P08684 1/20 0.46
▸ SLC7A5 Q01650 1/20 0.46
▸ SLC6A5 Q9Y345 1/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CTSB P07858 1/20 0.45
▸ CTSK P43235 1/20 0.45

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
SCHEMBL28124002 0.94 ITGB2 (0.54) LNPEPANPEPITGB2ICAM1ITGAL
SCHEMBL27638943 0.85 ITGB2 (0.57) LNPEPANPEPITGB2ICAM1ITGAL
SCHEMBL28101246 0.84 REN (0.50) LNPEPITGB2ICAM1ITGALREN
SCHEMBL21828615 0.83 ITGB2 (0.57) LNPEPITGB2ICAM1ITGALREN
SCHEMBL10448583 0.83 HRH3 (0.45) ITGB2ICAM1ITGALRENSLC15A2
SCHEMBL29918691 0.82 SLC15A2 (0.48) LNPEPANPEPITGB2ICAM1ITGAL
SCHEMBL1161012 0.81 ITGB2 (0.59) LNPEPITGB2ICAM1ITGALREN
SCHEMBL308989 0.81 ITGB2 (0.59) LNPEPITGB2ICAM1ITGALREN
SCHEMBL1229751 0.81 ITGB2 (0.59) LNPEPITGB2ICAM1ITGALREN
SCHEMBL27469252 0.80 ITGB2 (0.58) LNPEPITGB2ICAM1ITGALREN

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-106083996-A Galla Turcica (Galla Helepensis) acyl peptide derivant and the aging resistance Dermatologic preparation composition containing this derivant 生物FD&C株式会社 2016-11-09 — — CN claimed
CN-106083996-B Nutgall acyl peptide derivant and anti-aging Dermatologic preparation composition containing the derivative 生物FD&C株式会社 2019-10-01 — — CN disclosed
CN-106083996-A Galla Turcica (Galla Helepensis) acyl peptide derivant and the aging resistance Dermatologic preparation composition containing this derivant 生物FD&C株式会社 2016-11-09 — — CN disclosed
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