SCHEMBL29401151

SCHEMBL29401151

C1CCC(NC2CCCCC2)CC1.C=CCOC(=O)NCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 3/20 0.46
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.36
EPHX1 P07099 2/20 0.35
HSD17B10 Q99714 1/20 0.35
EPHX2 P34913 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BBOX1 O75936 1/20 0.34
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL8918349 0.90 ALDH1A1 (0.46) ALDH1A1GAACASP1NPSR1NPC1
SCHEMBL4680857 0.84 CASP1 (0.45) CASP1MAPTMEN1KMT2AEGLN1
SCHEMBL8918344 0.81 ALDH1A1 (0.43) ALDH1A1GAACASP1NPSR1NPC1
Bicarbonate SCHEMBL8397677 0.78 ALDH1A1 (0.58) ALDH1A1GAACASP1NPC1MAPT
SCHEMBL31435171 0.78 CASP1 (0.41) CASP1MAPTMEN1KMT2AEGLN1
SCHEMBL31435167 0.78 CASP1 (0.41) CASP1MAPTMEN1KMT2AEGLN1
SCHEMBL29229853 0.78 CASP1 (0.41) CASP1MAPTMEN1KMT2AEGLN1
SCHEMBL20858637 0.78 ALDH1A1 (0.61) ALDH1A1GAANPSR1NPC1MAPT
SCHEMBL9487720 0.78 ALDH1A1 (0.61) ALDH1A1GAANPSR1NPC1MAPT
SCHEMBL10788253 0.75 EPHX1 (0.47) THRBATML3MBTL1EPHX1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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