SCHEMBL29400759

SCHEMBL29400759

C1CCC(NC2CCCCC2)CC1.CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.52
CTSK P43235 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.44
EPHX1 P07099 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GAA P10253 1/20 0.41
PSENEN Q9NZ42 1/20 0.40
BTK Q06187 1/20 0.39
CA2 P00918 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7258917 0.88 CTSS (0.48) CTSSCTSKL3MBTL1KMT2APOLB
SCHEMBL10678116 0.86 GAA (0.44) CTSSCTSKKMT2AALDH1A1EPHX1
SCHEMBL10678127 0.86 GAA (0.44) CTSSCTSKKMT2AALDH1A1EPHX1
SCHEMBL15564432 0.86 GAA (0.44) CTSSCTSKKMT2AALDH1A1EPHX1
SCHEMBL1951088 0.85 CTSS (0.67) CTSSCTSKL3MBTL1KMT2APOLB
SCHEMBL905289 0.85 CTSS (0.67) CTSSCTSKL3MBTL1KMT2APOLB
SCHEMBL12189206 0.85 CTSS (0.67) CTSSCTSKL3MBTL1KMT2APOLB
SCHEMBL3825684 0.85 CTSS (0.67) CTSSCTSKL3MBTL1KMT2APOLB
SCHEMBL16710011 0.85 CTSS (0.67) CTSSCTSKL3MBTL1KMT2APOLB
SCHEMBL2159319 0.85 CTSS (0.67) CTSSCTSKL3MBTL1KMT2APOLB

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