SCHEMBL30423862

SCHEMBL30423862

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.52
▸ CTSS P25774 8/20 0.51
▸ CTSK P43235 7/20 0.51
▸ CTSB P07858 2/20 0.50
▸ CTSL P07711 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.49
▸ ITGB3 P05106 1/20 0.48
▸ ITGA2B P08514 1/20 0.48
▸ BCL2 P10415 2/20 0.47
▸ AKT1 P31749 1/20 0.44
▸ ACE P12821 1/20 0.43
▸ ACACB O00763 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ MCL1 Q07820 1/20 0.43

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
SCHEMBL30336908 0.91 ABCB1 (0.56) ABCB1CTSSCTSKCTSBCTSL
SCHEMBL21715638 0.87 CTSS (0.52) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL31573913 0.87 CTSS (0.54) ABCB1CTSSCTSKCTSBCTSL
SCHEMBL21683250 0.85 CTSS (0.50) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL21683249 0.85 CTSS (0.50) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL13933239 0.83 ABCB1 (0.57) ABCB1CTSSCTSKCTSBCTSL
SCHEMBL13252035 0.83 ABCB1 (0.57) ABCB1CTSSCTSKCTSBCTSL
SCHEMBL30064521 0.83 ABCB1 (0.52) ABCB1CTSSCTSKCTSBCTSL
SCHEMBL29484190 0.82 ABCB1 (0.56) ABCB1CTSSCTSKCTSBCTSL
SCHEMBL5065823 0.82 ITGB3 (0.67) ABCB1CTSSCTSKCTSBCTSL

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-116375792-A Short peptide Boc-L-Tyr (tBu) -Aib-OH and preparation method thereof 成都郑源生化科技有限公司 2023-07-04 — — CN disclosed
Send feedback