SCHEMBL29398786

SCHEMBL29398786

C1CCC(NC2CCCCC2)CC1.CC(C)(C)OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.50
ALDH1A1 P00352 1/20 0.49
EPHX1 P07099 1/20 0.48
KLK7 P49862 1/20 0.48
KLK5 Q9Y337 1/20 0.48
CASP1 P29466 4/20 0.47
SYK P43405 1/20 0.47
PPARA Q07869 1/20 0.47
CTSK P43235 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45

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
SCHEMBL11169588 0.90 ALDH1A1 (0.47) CACNA1BALDH1A1EPHX1SYKPPARA
SCHEMBL11027577 0.90 ALDH1A1 (0.47) CACNA1BALDH1A1EPHX1SYKPPARA
SCHEMBL29787920 0.90 ALDH1A1 (0.47) CACNA1BALDH1A1EPHX1SYKPPARA
SCHEMBL1143900 0.89 SIRT2 (0.49) ALDH1A1EPHX1CASP1SYKPPARA
SCHEMBL2775895 0.88 PPARA (0.57) KLK7KLK5CASP1SYKPPARA
SCHEMBL478289 0.88 PPARA (0.57) KLK7KLK5CASP1SYKPPARA
SCHEMBL1143898 0.88 PPARA (0.57) KLK7KLK5CASP1SYKPPARA
Water SCHEMBL29401166 0.87 PPARA (0.56) KLK7KLK5CASP1SYKPPARA
Water SCHEMBL2580712 0.87 PPARA (0.56) KLK7KLK5CASP1SYKPPARA
SCHEMBL5686503 0.87 SYK (0.51) CACNA1BALDH1A1EPHX1CASP1SYK

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 7 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
WO-2023228177-A1 COMPOSITIONS COMPRISING ASPACYTARABINE AND ADDITIONAL COMPOUNDS, AND USE THEREOF BIOSIGHT LTD. (IL) 2023-11-30 WO 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
CN-115925790-A Methods for synthesizing alpha 4 beta 7 peptide antagonists 领导医疗有限公司 2023-04-07 CN 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