Sugi Predict

Sugi Predict / Compounds / SCHEMBL24945916

SCHEMBL24945916

SCHEMBL24945916

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.48
▸ CTSS P25774 2/20 0.47
▸ CTSK P43235 1/20 0.47
▸ KLK7 P49862 1/20 0.47
▸ KLK5 Q9Y337 1/20 0.47
▸ CCKBR P32239 2/20 0.47
▸ PPARG P37231 2/20 0.46
▸ SYK P43405 1/20 0.46
▸ ACE P12821 1/20 0.45

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
SCHEMBL24945915 0.95 CCKBR (0.49) PPARACTSSCTSKKLK7KLK5
SCHEMBL24946317 0.93 KLK7 (0.45) PPARACTSSCTSKKLK7KLK5
SCHEMBL19930033 0.92 SYK (0.48) CTSSCTSKCCKBRSYK
SCHEMBL16439602 0.88 BCHE (0.47) PPARACTSSCTSKKLK7KLK5
SCHEMBL7278249 0.87 CCKBR (0.46) PPARACTSSCTSKKLK7KLK5
SCHEMBL7827126 0.83 CTSS (0.52) PPARACTSSCTSKKLK7KLK5
SCHEMBL16431333 0.83 CTSS (0.46) PPARACTSSCTSKPPARGACE
SCHEMBL23512578 0.82 KLK7 (0.51) PPARACTSSCTSKKLK7KLK5
SCHEMBL28807338 0.82 KLK7 (0.51) PPARACTSSCTSKKLK7KLK5
SCHEMBL29528466 0.82 KLK7 (0.51) PPARACTSSCTSKKLK7KLK5

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