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SCHEMBL24945915

SCHEMBL24945915

CC(C)(C)OC(=O)NC(CCC(=O)OCc1ccccc1)C(=O)N(CC(=O)OCc1ccccc1)CC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 2/20 0.49
▸ PPARA Q07869 3/20 0.49
▸ KLK7 P49862 1/20 0.48
▸ KLK5 Q9Y337 1/20 0.48
▸ CTSS P25774 2/20 0.47
▸ PPARG P37231 2/20 0.47
▸ SYK P43405 1/20 0.47
▸ CTSK P43235 1/20 0.46
▸ ACE P12821 1/20 0.46

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
SCHEMBL24945916 0.95 PPARA (0.48) CCKBRPPARAKLK7KLK5CTSS
SCHEMBL16439602 0.91 BCHE (0.47) CCKBRPPARAKLK7KLK5CTSS
SCHEMBL7278249 0.90 CCKBR (0.46) CCKBRPPARAKLK7KLK5CTSS
SCHEMBL24946317 0.89 KLK7 (0.45) CCKBRPPARAKLK7KLK5CTSS
SCHEMBL13007476 0.87 PPARA (0.55) PPARAKLK7KLK5CTSSPPARG
SCHEMBL3817109 0.87 PPARA (0.55) PPARAKLK7KLK5CTSSPPARG
SCHEMBL376018 0.87 PPARA (0.61) PPARAKLK7KLK5CTSSPPARG
SCHEMBL2011835 0.87 PPARA (0.55) PPARAKLK7KLK5CTSSPPARG
SCHEMBL1517760 0.87 PPARA (0.55) PPARAKLK7KLK5CTSSPPARG
SCHEMBL2009896 0.87 PPARA (0.61) PPARAKLK7KLK5CTSSPPARG

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-2023002452-A1 PROCESS FOR PREPARATION OF TARGETING LIGANDS Janssen Pharmaceuticals, Inc. (US) 2023-01-26 — — WO disclosed