SCHEMBL7646162

SCHEMBL7646162

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.39
CTSB P07858 3/20 0.37
CTSS P25774 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PPARG P37231 1/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CTSL P07711 1/20 0.34
CTSK P43235 1/20 0.34
MME P08473 1/20 0.33

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
SCHEMBL7646910 0.84 ALDH1A1 (0.36) PPARACTSBALDH1A1L3MBTL1LMNA
SCHEMBL8026778 0.77 L3MBTL1 (0.35) PPARAALDH1A1L3MBTL1LMNAPOLB
SCHEMBL8618352 0.73 PPARA (0.40) PPARACTSBCTSSNPSR1PPARG
SCHEMBL7648440 0.72
SCHEMBL6401312 0.72 CA1 (0.40) PPARACTSSNPSR1PPARGL3MBTL1
SCHEMBL7646170 0.71 PPARA (0.57) PPARACTSBCTSSPPARGCTSL
SCHEMBL28233244 0.71 CYP1A2 (0.41) PPARAPPARGALDH1A1
SCHEMBL5074711 0.70 MMP8 (0.42) CTSBALDH1A1L3MBTL1LMNAPOLB
SCHEMBL27389520 0.69 SLC1A3 (0.41) CTSBALDH1A1L3MBTL1LMNAPOLB
SCHEMBL14718416 0.69

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