SCHEMBL29182129

SCHEMBL29182129

CC(CCc1ccccc1)OC(=O)C(CCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.48
▸ CTSS P25774 2/20 0.48
▸ IDO1 P14902 1/20 0.48
▸ SIGMAR1 Q99720 3/20 0.44
▸ SYK P43405 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KCNA5 P22460 1/20 0.43
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ MALT1 Q9UDY8 1/20 0.41

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 0.83 IDO1 (0.52) CTSKCTSSIDO1SIGMAR1SYK
SCHEMBL15159962 0.77 CTSK (0.59) CTSKCTSSIDO1SIGMAR1SYK
SCHEMBL572740 0.77 IDO1 (0.60) CTSKCTSSIDO1SIGMAR1GAA
SCHEMBL29182124 0.76 SIGMAR1 (0.50) CTSKCTSSIDO1SIGMAR1MEN1
SCHEMBL19295599 0.76 CTSK (0.54) CTSKCTSSIDO1SIGMAR1SYK
SCHEMBL21780574 0.76 SYK (0.52) CTSKCTSSIDO1SIGMAR1SYK
SCHEMBL30799405 0.76 MEN1 (0.63) CTSKCTSSIDO1MEN1GAA
SCHEMBL30841329 0.75 CTSK (0.57) CTSKCTSSIDO1SIGMAR1SYK
SCHEMBL27330377 0.75 CTSK (0.57) CTSKCTSSIDO1SIGMAR1SYK
SCHEMBL6775479 0.75 SIGMAR1 (0.54) CTSKCTSSIDO1SIGMAR1SYK

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
Send feedback