SCHEMBL30863560

SCHEMBL30863560

CCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)N[C@@H](COC(C)(C)C)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 5/20 0.49
▸ ITGA2B P08514 5/20 0.49
▸ PSMB5 P28074 3/20 0.46
▸ PLG P00747 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ PRSS2 P07478 1/20 0.46
▸ PRSS3 P35030 1/20 0.46
▸ PTPN1 P18031 2/20 0.44
▸ FAAH O00519 2/20 0.42
▸ GRIA1 P42261 1/20 0.41
▸ PPARG P37231 2/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL30863573 0.90 PSMB5 (0.52) ITGB3ITGA2BPSMB5PLGPRSS1
SCHEMBL4062031 0.82 ITGB3 (0.68) ITGB3ITGA2BPSMB5PLGPRSS1
SCHEMBL30863604 0.82 ACACB (0.43) PTPN1
SCHEMBL30073121 0.78 GRIA1 (0.55) ITGB3ITGA2BPSMB5FAAHGRIA1
SCHEMBL4066985 0.77 HDAC1 (0.60) ITGB3ITGA2B
SCHEMBL28518103 0.77 PSMB5 (0.68) PSMB5FAAH
SCHEMBL28518104 0.77 PSMB5 (0.68) PSMB5FAAH
SCHEMBL19422658 0.76 ITGB3 (0.54) ITGB3ITGA2BPLGPRSS1PRSS2
SCHEMBL29468853 0.76 GRB2 (0.43) PTPN1
SCHEMBL4392116 0.75 FAAH (0.70) PSMB5FAAH

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
WO-2024078588-A9 NEW USE OF PEPTIDE COMPOUND IN PREPARATION OF COMPOSITION FOR SKIN AGING REPAIR 深圳市维琪科技股份有限公司 2024-09-26 — — WO disclosed
WO-2024078588-A1 NEW USE OF PEPTIDE COMPOUND IN PREPARATION OF COMPOSITION FOR SKIN AGING REPAIR 深圳市维琪科技股份有限公司 2024-04-18 — — WO disclosed
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