SCHEMBL27140359

SCHEMBL27140359

N[C@@H](CS)C(=O)OCCCO

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
SLC7A11 Q9UPY5 1/20 0.43
ENPEP Q07075 4/20 0.31
ACHE P22303 6/20 0.30

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
SCHEMBL22331155 0.87 PTGS1 (0.46) PTGS1SLC7A11ENPEPACHE
SCHEMBL22331154 0.87 PTGS1 (0.46) PTGS1SLC7A11ENPEPACHE
SCHEMBL2675600 0.87 PTGS1 (0.46) PTGS1SLC7A11ENPEPACHE
Hydrochloric Acid SCHEMBL8378787 0.85 PTGS1 (0.44) PTGS1SLC7A11ENPEP
Hydrochloric Acid SCHEMBL22331153 0.85 PTGS1 (0.44) PTGS1SLC7A11ENPEP
SCHEMBL6039402 0.83 PTGS1 (0.43) PTGS1SLC7A11ENPEP
SCHEMBL5150211 0.83 PTGS1 (0.43) PTGS1SLC7A11ENPEP
SCHEMBL27566173 0.83 ACHE (0.32) ACHE
SCHEMBL113393 0.82 ALDH1A1 (0.48) PTGS1SLC7A11ACHE
SCHEMBL113394 0.82 ALDH1A1 (0.48) PTGS1SLC7A11ACHE

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-2024044684-A2 IMMUNOGENIC PROTEINS AND NUCLEIC ACIDS ENCODING THE SAME INTERNATIONAL AIDS VACCINE INITIATIVE, INC. (US) 2024-02-29 WO disclosed