SCHEMBL15083152

SCHEMBL15083152

CC(C)(C)OC(=O)N[C@@H](CCC(=O)I)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.54
CTSS P25774 4/20 0.51
PPARG P37231 4/20 0.51
SYK P43405 1/20 0.51
CTSK P43235 4/20 0.50
ACE P12821 1/20 0.50
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
KLK7 P49862 3/20 0.48
MAPT P10636 1/20 0.48
KLK5 Q9Y337 2/20 0.47
PPARD Q03181 2/20 0.47

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
SCHEMBL27578688 0.90 PPARA (0.56) PPARACTSSPPARGSYKCTSK
SCHEMBL2707177 0.90 PPARA (0.56) PPARACTSSPPARGSYKCTSK
SCHEMBL203720 0.90 PPARA (0.56) PPARACTSSPPARGSYKCTSK
SCHEMBL957159 0.90 PPARA (0.56) PPARACTSSPPARGSYKCTSK
SCHEMBL10054776 0.90 PPARA (0.56) PPARACTSSPPARGSYKCTSK
SCHEMBL1517760 0.89 PPARA (0.55) PPARACTSSPPARGSYKCTSK
SCHEMBL3817109 0.89 PPARA (0.55) PPARACTSSPPARGSYKCTSK
SCHEMBL21254111 0.88 PPARA (0.52) PPARACTSSPPARGSYKCTSK
SCHEMBL2899548 0.88 PPARA (0.54) PPARACTSSPPARGSYKCTSK
SCHEMBL10883343 0.88 PPARA (0.54) PPARACTSSPPARGSYKCTSK

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-2013100132-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD 中外製薬株式会社 (JP) 2013-07-04 WO disclosed