SCHEMBL24945913

SCHEMBL24945913

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.55
KLK7 P49862 3/20 0.52
KLK5 Q9Y337 3/20 0.52
PPARA Q07869 3/20 0.51
CTSS P25774 4/20 0.48
PPARG P37231 2/20 0.48
SYK P43405 1/20 0.48
TLR2 O60603 1/20 0.48
TLR1 Q15399 1/20 0.48
CTSK P43235 2/20 0.47
CACNA1B Q00975 3/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
TACR1 P25103 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
SCHEMBL24945920 1.00 ACE (0.55) ACEKLK7KLK5PPARACTSS
SCHEMBL23463314 0.96 ACE (0.52) ACEKLK7KLK5PPARACTSS
SCHEMBL22300308 0.96 ACE (0.52) ACEKLK7KLK5PPARACTSS
SCHEMBL3817109 0.95 PPARA (0.55) ACEKLK7KLK5PPARACTSS
SCHEMBL1517760 0.95 PPARA (0.55) ACEKLK7KLK5PPARACTSS
SCHEMBL23447220 0.94 ACE (0.49) ACEKLK7KLK5PPARACTSS
SCHEMBL24235725 0.92 MEN1 (0.49) ACEKLK7KLK5PPARACTSS
SCHEMBL16478621 0.91 ACE (0.55) ACEKLK7KLK5PPARACTSS
SCHEMBL22300883 0.91 CTSS (0.53) ACEKLK7KLK5PPARACTSS
SCHEMBL17347936 0.91 CTSS (0.53) ACEKLK7KLK5PPARACTSS

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