SCHEMBL31069959

SCHEMBL31069959

CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ OPRD1 P41143 5/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ CTSD P07339 1/20 0.44
▸ REN P00797 2/20 0.44
▸ PSEN1 P49768 3/20 0.43
▸ PSEN2 P49810 3/20 0.43
▸ APH1B Q8WW43 3/20 0.43
▸ NCSTN Q92542 3/20 0.43
▸ APH1A Q96BI3 3/20 0.43
▸ PSENEN Q9NZ42 3/20 0.43
▸ CCKBR P32239 3/20 0.43
▸ CCKAR P32238 3/20 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
SCHEMBL31069957 0.98 CTSS (0.52) CTSSCTSKOPRD1OPRM1CTSD
SCHEMBL31181954 0.93 CTSS (0.52) CTSSCTSKOPRD1OPRM1CTSD
SCHEMBL31069951 0.93 OPRD1 (0.49) CTSSCTSKOPRD1OPRM1REN
SCHEMBL31069955 0.91 OPRD1 (0.51) CTSSCTSKOPRD1OPRM1REN
SCHEMBL31069954 0.86 OPRD1 (0.51) OPRD1CCKBRCCKAR
SCHEMBL31069950 0.86 ACE (0.56) CTSSCTSKCTSDREN
SCHEMBL29472194 0.86 CTSS (0.54) CTSSCTSKOPRD1OPRM1CTSD
SCHEMBL11684424 0.84 CTSS (0.68) CTSSCTSKOPRD1OPRM1
SCHEMBL11680875 0.84 CTSS (0.68) CTSSCTSKOPRD1OPRM1
SCHEMBL11680386 0.84 CTSS (0.68) CTSSCTSKOPRD1OPRM1

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
CN-118684732-A Method for preparing AT-01 by liquid phase fragment condensation 南通大学 2024-09-24 — — CN claimed
CN-118684732-A Method for preparing AT-01 by liquid phase fragment condensation 南通大学 2024-09-24 — — CN disclosed
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