SCHEMBL29401820

SCHEMBL29401820

CC(C)(C)OC(=O)N[C@H](Cc1cn(COCc2ccccc2)cn1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.56
▸ PPARG P37231 2/20 0.52
▸ ACE P12821 1/20 0.50
▸ CTSS P25774 3/20 0.48
▸ PTPN1 P18031 7/20 0.46
▸ CDC25B P30305 4/20 0.46
▸ PTPN2 P17706 3/20 0.46
▸ CDC25A P30304 2/20 0.46
▸ PTPN6 P29350 1/20 0.46
▸ PTPN11 Q06124 1/20 0.46
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ KLK7 P49862 2/20 0.44
▸ KLK5 Q9Y337 1/20 0.44
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CPB2 Q96IY4 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
SCHEMBL29401545 1.00 PPARA (0.56) PPARAPPARGACECTSSPTPN1
SCHEMBL17642069 0.88 ACE (0.56) PPARAPPARGACECTSSPTPN1
SCHEMBL3429311 0.88 ACE (0.56) PPARAPPARGACECTSSPTPN1
SCHEMBL18468298 0.88 ITGB3 (0.48) PPARAPPARGCTSSCTSLCTSB
SCHEMBL6324267 0.86 ACE (0.52) PPARAPPARGACECTSSPTPN1
SCHEMBL12942569 0.83 CPB2 (0.49) ACEPTPN1CTSKITGB3ITGA2B
SCHEMBL5358340 0.82 MAPT (0.46) PPARAPPARGACECTSSCTSL
SCHEMBL13711132 0.82 PPARA (0.51) PPARAPPARGACECTSSPTPN1
SCHEMBL6329225 0.80 CPB2 (0.64) PPARAPPARGACEPTPN1ITGB3
SCHEMBL19508750 0.80 KLK5 (0.51) PPARAPPARGACECTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 — — EP disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 — — US disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 — — WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 — — US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 — — WO disclosed
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