SCHEMBL7646170

SCHEMBL7646170

C[C@H](NCOCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.57
CTSS P25774 4/20 0.54
PPARG P37231 2/20 0.52
CTSK P43235 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
PTPN1 P18031 4/20 0.46
CDC25B P30305 4/20 0.46
PTPN2 P17706 2/20 0.46
CDC25A P30304 2/20 0.46
APP P05067 2/20 0.46
SYK P43405 1/20 0.46
ATM Q13315 1/20 0.46
ACE P12821 1/20 0.45
KLK7 P49862 1/20 0.43
KLK5 Q9Y337 1/20 0.43
KMT2A Q03164 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
SCHEMBL7646913 0.83 PPARA (0.53) PPARACTSSPPARGCTSKCTSL
SCHEMBL20299917 0.83 SYK (0.59) PPARACTSSPPARGCTSKCTSL
SCHEMBL20299921 0.83 SYK (0.59) PPARACTSSPPARGCTSKCTSL
SCHEMBL8430071 0.81 PPARA (0.65) PPARACTSSPPARGCTSKCTSL
SCHEMBL8428580 0.81 PPARA (0.65) PPARACTSSPPARGCTSKCTSL
SCHEMBL1414711 0.80 PPARA (0.55) PPARACTSSPPARGCTSKCTSL
SCHEMBL3449019 0.80 PPARA (0.55) PPARACTSSPPARGCTSKCTSL
SCHEMBL12018371 0.80 PPARA (0.55) PPARACTSSPPARGCTSKCTSL
SCHEMBL2212074 0.80 PPARA (0.55) PPARACTSSPPARGCTSKCTSL
SCHEMBL400186 0.80 PPARA (0.55) PPARACTSSPPARGCTSKCTSL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6482921-B1 Uridyl peptide antibiotic (UPA) derivatives, their synthesis and use ESSENTIAL THERAPEUTICS, INC. 2002-11-19 US disclosed
WO-2000044335-A2 URIDYL PEPTIDE ANTIBIOTIC (UPA) DERIVATIVES, THEIR SYNTHESIS AND USE MICROCIDE PHARMACEUTICALS, INC. (US) 2000-08-03 WO disclosed