SCHEMBL31604808

SCHEMBL31604808

CC(C)(C)OC(=O)N1CC(COC[C@H](NC(=O)OCc2ccccc2)C(N)=O)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.46
▸ KLK7 P49862 1/20 0.46
▸ KLK5 Q9Y337 1/20 0.46
▸ P2RX7 Q99572 8/20 0.46
▸ CTSS P25774 2/20 0.44
▸ SYK P43405 1/20 0.44
▸ CTSK P43235 3/20 0.43
▸ CTSL P07711 3/20 0.43
▸ YAP1 P46937 1/20 0.43

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
SCHEMBL31604809 0.92 YAP1 (0.49) PPARAKLK7KLK5P2RX7CTSS
SCHEMBL21753086 0.80 NAMPT (0.52) CTSKCTSLYAP1
SCHEMBL21248948 0.79 SYK (0.49) P2RX7SYKCTSLYAP1
SCHEMBL31646594 0.79 PPARA (0.48) PPARAKLK7KLK5CTSSSYK
SCHEMBL20158205 0.78 YAP1 (0.49) KLK7KLK5P2RX7CTSSSYK
SCHEMBL28743990 0.78 YAP1 (0.49) KLK7KLK5P2RX7CTSSSYK
SCHEMBL18459337 0.77 YAP1 (0.48) P2RX7CTSSCTSKYAP1
SCHEMBL5099423 0.77 YAP1 (0.52) P2RX7YAP1
SCHEMBL5099437 0.77 YAP1 (0.52) P2RX7YAP1
SCHEMBL5099430 0.77 YAP1 (0.52) P2RX7YAP1

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-2025111414-A1 TRPM3-MODULATING BENZOFURAN DERIVATIVES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2025-05-30 — — WO disclosed
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