SCHEMBL29182124

SCHEMBL29182124

CC(C)(C)OC(=O)NCCCCC(C(=O)O)C(=O)OCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ IDO1 P14902 1/20 0.50
▸ CHRNB2 P17787 1/20 0.49
▸ CHRNB4 P30926 1/20 0.49
▸ CHRNA3 P32297 1/20 0.49
▸ CHRNA4 P43681 1/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ MMP1 P03956 1/20 0.48
▸ MMP3 P08254 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ CTSK P43235 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ PAX8 Q06710 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ CA1 P00915 2/20 0.44

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
SCHEMBL29182123 0.93 IDO1 (0.52) SIGMAR1MAPTIDO1CHRNB2CHRNB4
SCHEMBL15723464 0.87 MAPT (0.60) MAPTIDO1MEN1KMT2AGAA
SCHEMBL4961185 0.83 SIGMAR1 (0.62) SIGMAR1IDO1MEN1KMT2AGAA
SCHEMBL29182108 0.82 MEN1 (0.57) MAPTMEN1KMT2AGAANPSR1
SCHEMBL29401894 0.82 GGT1 (0.56) SIGMAR1MAPTCHRNB2CHRNB4CHRNA3
SCHEMBL5468072 0.82 NPSR1 (0.61) SIGMAR1IDO1MEN1KMT2AGAA
SCHEMBL22102023 0.82 NPSR1 (0.61) SIGMAR1IDO1MEN1KMT2AGAA
SCHEMBL4583683 0.82 POLB (0.65) SIGMAR1IDO1CHRNB2CHRNB4CHRNA3
SCHEMBL7440534 0.81 CTSK (0.55) MAPTMEN1KMT2AMMP1MMP3
SCHEMBL6274138 0.79 NPSR1 (0.56) SIGMAR1IDO1KMT2AMMP1MMP3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117551004-A Synthesis method of amino acid and amino alcohol compound 四川大学 2024-02-13 — — CN disclosed
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