SCHEMBL29680113

SCHEMBL29680113

CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 16/20 0.48
▸ PTPN1 P18031 4/20 0.48
▸ CTSD P07339 1/20 0.44
▸ BACE2 Q9Y5Z0 2/20 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
SCHEMBL29393322 0.92 BACE1 (0.46) BACE1PTPN1CTSDBACE2
SCHEMBL29531673 0.89 FOLH1 (0.45) BACE1PTPN1CTSDBACE2
SCHEMBL29939815 0.89 FOLH1 (0.45) BACE1PTPN1CTSDBACE2
SCHEMBL31375132 0.89 FOLH1 (0.45) BACE1PTPN1CTSDBACE2
SCHEMBL31206261 0.88 BACE1 (0.39) BACE1CTSD
SCHEMBL31514358 0.88 MME (0.44) BACE1PTPN1BACE2
SCHEMBL30719918 0.87 BACE1 (0.44) BACE1PTPN1CTSDBACE2
SCHEMBL30973978 0.87 OPRM1 (0.42) —
SCHEMBL30495730 0.86 BACE1 (0.41) BACE1
SCHEMBL31514368 0.86 BACE1 (0.49) BACE1PTPN1CTSDBACE2

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
WO-2022069704-A2 IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE) 2022-04-07 — — WO disclosed
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