SCHEMBL29401562

SCHEMBL29401562

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 4/20 0.51
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
MGLL Q99685 2/20 0.44
CACNA1B Q00975 3/20 0.43
ABCB1 P08183 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR2A P28223 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL19969280 0.91 PPARG (0.48) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7417267 0.90 PPARG (0.52) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL29400871 0.89 PPARG (0.51) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8171177 0.88 ALDH1A1 (0.54) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL29402178 0.88 KLK7 (0.53) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12396358 0.87 MAPT (0.53) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2158928 0.87 MAPT (0.53) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31490548 0.87 BCL9 (0.52) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1935059 0.86 MAPT (0.66) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1935058 0.86 MAPT (0.66) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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