SCHEMBL29397600

SCHEMBL29397600

CC(=O)N[C@H](COC(C)(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 1/20 0.55
▸ SORT1 Q99523 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ PTGS2 P35354 1/20 0.52
▸ THPO P40225 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPK1 P28482 1/20 0.39
▸ PYGL P06737 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PPARA Q07869 2/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ GNPAT O15228 1/20 0.36
▸ CA12 O43570 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
SCHEMBL17513728 1.00 GRN (0.55) GRNSORT1KDM4EMAPTTHRB
SCHEMBL9725956 1.00 GRN (0.55) GRNSORT1KDM4EMAPTTHRB
SCHEMBL18515857 0.86 GRN (0.56) GRNSORT1KDM4EMAPTTHRB
SCHEMBL27587952 0.83 GRN (0.54) GRNSORT1MAPK1PYGLCYP2C9
SCHEMBL27587953 0.83 GRN (0.54) GRNSORT1MAPK1PYGLCYP2C9
SCHEMBL29750216 0.83 GRN (0.54) GRNSORT1KDM4EMAPTTHRB
SCHEMBL23051973 0.81 GRN (0.39) GRNSORT1KDM4EMAPTTHRB
SCHEMBL213064 0.81 PPARA (0.53) GRNSORT1PPARACA1CA2
SCHEMBL2158663 0.81 PPARA (0.53) GRNSORT1PPARACA1CA2
SCHEMBL212031 0.81 PPARA (0.53) GRNSORT1PPARACA1CA2

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 5 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
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
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