SCHEMBL29401779

SCHEMBL29401779

Cc1ccc(CSC[C@H](CO)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.63
PPARA Q07869 9/20 0.63
PPARD Q03181 2/20 0.52
ACE P12821 1/20 0.44
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 1/20 0.43
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 2/20 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
SCHEMBL29400099 0.88 PPARA (0.65) PPARGPPARAPPARDATMCYP3A4
SCHEMBL3576526 0.88 PPARA (0.65) PPARGPPARAPPARDATMCYP3A4
SCHEMBL29401524 0.88 PPARA (0.65) PPARGPPARAPPARDATMCYP3A4
SCHEMBL3032280 0.88 PPARG (0.64) PPARGPPARAPPARDACEATM
SCHEMBL3032276 0.88 PPARG (0.64) PPARGPPARAPPARDACEATM
SCHEMBL1277769 0.88 PPARG (0.64) PPARGPPARAPPARDACEATM
SCHEMBL10076447 0.84 ATM (0.55) PPARGPPARAACEATMCYP3A4
SCHEMBL21676555 0.84 ATM (0.55) PPARGPPARAACEATMCYP3A4
SCHEMBL4422552 0.82 PPARA (0.89) PPARGPPARAPPARDACE
SCHEMBL7331137 0.82 PPARA (0.89) PPARGPPARAPPARDACE

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