SCHEMBL29401710

SCHEMBL29401710

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CTSS P25774 3/20 0.46
CTSK P43235 3/20 0.46
EPHX1 P07099 2/20 0.42
PPARA Q07869 3/20 0.41
GAA P10253 1/20 0.40
PPARG P37231 2/20 0.40
CACNA1B Q00975 5/20 0.39
IDO1 P14902 1/20 0.39
BTK Q06187 1/20 0.39
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACE P12821 1/20 0.36

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
SCHEMBL14677155 0.88 HDAC4 (0.52) HDAC4HDAC1HDAC6CTSSCTSK
SCHEMBL27638964 0.88 HDAC4 (0.49) HDAC4HDAC1HDAC6CTSSCTSK
SCHEMBL2320810 0.88 HDAC4 (0.52) HDAC4HDAC1HDAC6CTSSCTSK
SCHEMBL8383068 0.88 HDAC4 (0.49) HDAC4HDAC1HDAC6CTSSCTSK
SCHEMBL4210214 0.88 HDAC4 (0.52) HDAC4HDAC1HDAC6CTSSCTSK
SCHEMBL29401334 0.88 HDAC4 (0.49) HDAC4HDAC1HDAC6CTSSCTSK
SCHEMBL1088542 0.85 PPARA (0.51) CTSSCTSKPPARAGAAPPARG
SCHEMBL1100322 0.85 PPARA (0.51) CTSSCTSKPPARAGAAPPARG
SCHEMBL29400626 0.85 HDAC4 (0.51) HDAC4HDAC1HDAC6CTSSCTSK
SCHEMBL11096628 0.85 HDAC4 (0.51) HDAC4HDAC1HDAC6CTSSCTSK

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