SCHEMBL29402178

SCHEMBL29402178

CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.53
KLK5 Q9Y337 1/20 0.53
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CACNA1B Q00975 4/20 0.47
GAA P10253 2/20 0.46
SYK P43405 1/20 0.45
HTR2A P28223 1/20 0.44
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44

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
SCHEMBL31377323 0.91 KLK7 (0.47) KLK7KLK5PPARAPPARGSMN1; SMN2
SCHEMBL30646405 0.91 PPARA (0.49) KLK7KLK5PPARAPPARGSMN1; SMN2
SCHEMBL12082260 0.91 PPARA (0.49) KLK7KLK5PPARAPPARGSMN1; SMN2
SCHEMBL10898520 0.90 CTSL (0.49)
SCHEMBL29401562 0.88 MAPT (0.52) PPARAPPARGSMN1; SMN2NPC1ALDH1A1
SCHEMBL883397 0.87 ITGA4 (0.55) KLK5PPARAPPARGSMN1; SMN2NPC1
SCHEMBL6988240 0.87 ITGA4 (0.55) KLK5PPARAPPARGSMN1; SMN2NPC1
SCHEMBL495975 0.87 ITGA4 (0.55) KLK5PPARAPPARGSMN1; SMN2NPC1
SCHEMBL28054337 0.86 PPARA (0.61) KLK7KLK5PPARAPPARGALDH1A1
SCHEMBL11709602 0.86 CTSL (0.49) HTR2A

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 6 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
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN 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