SCHEMBL27270240

SCHEMBL27270240

CC(C)C(NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C(CC(=O)O)NC(=O)CCC(=O)N1Cc2ccccc2CCc2ccccc21)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 3/20 0.44
▸ KEAP1 Q14145 8/20 0.42
▸ HRH1 P35367 1/20 0.40

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
SCHEMBL27271972 0.87 CTSB (0.47) CTSBKEAP1
SCHEMBL27274319 0.87 CTSB (0.47) CTSBKEAP1
SCHEMBL29312735 0.87 CTSB (0.47) CTSBKEAP1
SCHEMBL29313775 0.84 KEAP1 (0.45) CTSBKEAP1
SCHEMBL27273934 0.83 CTSB (0.47) CTSBKEAP1
SCHEMBL29311676 0.81 CTSB (0.40) CTSBKEAP1
SCHEMBL29312765 0.81 KEAP1 (0.42) KEAP1HRH1
SCHEMBL29311674 0.81 CTSB (0.40) CTSBKEAP1
SCHEMBL29312741 0.81 KEAP1 (0.42) KEAP1HRH1
SCHEMBL22224239 0.80 POLB (0.44) —

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-2024086826-A2 POLYPEPTIDYL LINKERS Quantum-Si Incorporated (US) 2024-04-25 — — WO disclosed
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