SCHEMBL31501260

SCHEMBL31501260

C[C@@H](OC(C)(C)C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.41
▸ PSEN1 P49768 8/20 0.41
▸ PSEN2 P49810 8/20 0.41
▸ APH1B Q8WW43 8/20 0.41
▸ NCSTN Q92542 8/20 0.41
▸ APH1A Q96BI3 8/20 0.41
▸ PSENEN Q9NZ42 8/20 0.41
▸ PSMB1 P20618 2/20 0.40
▸ PSMB8 P28062 2/20 0.40
▸ PSMB9 P28065 2/20 0.40
▸ PSMB5 P28074 2/20 0.40
▸ PSMB10 P40306 2/20 0.40
▸ PSMB2 P49721 2/20 0.40
▸ CCKAR P32238 2/20 0.40
▸ CCKBR P32239 2/20 0.40
▸ OPRM1 P35372 2/20 0.39
▸ OPRD1 P41143 2/20 0.39
▸ OPRK1 P41145 2/20 0.39
▸ REN P00797 2/20 0.39
▸ CTSS P25774 2/20 0.39

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
SCHEMBL30892072 0.96 PSEN1 (0.42) ABCB1PSEN1PSEN2APH1BNCSTN
SCHEMBL30930720 0.96 ACE (0.42) ABCB1PSEN1PSEN2APH1BNCSTN
SCHEMBL31247896 0.94 PSEN1 (0.40) ABCB1PSEN1PSEN2APH1BNCSTN
SCHEMBL31247969 0.92 ABCB1 (0.40) ABCB1PSEN1PSEN2APH1BNCSTN
SCHEMBL31247966 0.91 OPRM1 (0.40) ABCB1PSEN1PSEN2APH1BNCSTN
SCHEMBL31247960 0.91 OPRD1 (0.40) ABCB1PSEN1PSEN2APH1BNCSTN
SCHEMBL31296842 0.91 CCKBR (0.41) ABCB1PSEN1PSEN2APH1BNCSTN
SCHEMBL31247975 0.90 ABCB1 (0.41) ABCB1PSEN1PSEN2APH1BNCSTN
SCHEMBL31536385 0.89 OPRM1 (0.39) ABCB1PSEN1PSEN2APH1BNCSTN
SCHEMBL31522796 0.88 PSMB1 (0.38) ABCB1PSEN1PSEN2APH1BNCSTN

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-119708196-A Tenipout peptide synthesis method 深圳翰宇药业股份有限公司 2025-03-28 — — CN disclosed
Send feedback