SCHEMBL29401894

SCHEMBL29401894

CC(C)(C)OC(=O)NCCCC[C@H](NCCCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GGT1 P19440 1/20 0.56
▸ MMP1 P03956 1/20 0.54
▸ MMP3 P08254 1/20 0.54
▸ MMP9 P14780 1/20 0.54
▸ CTSK P43235 3/20 0.53
▸ SIGMAR1 Q99720 2/20 0.52
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ GAA P10253 1/20 0.51
▸ ACE P12821 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ PAX8 Q06710 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ CTSS P25774 1/20 0.49
▸ CHRNB2 P17787 1/20 0.48
▸ CHRNB4 P30926 1/20 0.48

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
SCHEMBL19839675 0.89 MEN1 (0.55) MMP1MMP3MMP9CTSKKMT2A
SCHEMBL19839673 0.89 MEN1 (0.55) MMP1MMP3MMP9CTSKKMT2A
SCHEMBL19839686 0.89 MEN1 (0.55) MMP1MMP3MMP9CTSKKMT2A
SCHEMBL7440534 0.87 CTSK (0.55) MMP1MMP3MMP9CTSKKMT2A
SCHEMBL4583683 0.86 POLB (0.65) MMP1MMP3MMP9CTSKSIGMAR1
SCHEMBL4961185 0.85 SIGMAR1 (0.62) MMP1MMP3MMP9SIGMAR1KMT2A
SCHEMBL31040386 0.85 MEN1 (0.65) CTSKKMT2AMEN1GAAACE
SCHEMBL19839794 0.84 CA1 (0.52) MMP9CTSKKMT2AMEN1GAA
SCHEMBL19839791 0.84 CA1 (0.52) MMP9CTSKKMT2AMEN1GAA
SCHEMBL22102023 0.84 NPSR1 (0.61) MMP1MMP3MMP9SIGMAR1KMT2A

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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