SCHEMBL30799356

SCHEMBL30799356

C=CCCCCOC(=O)C(CCCC)(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPHX2 P34913 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
HCAR2 Q8TDS4 2/20 0.33
CTSK P43235 2/20 0.33
CTSS P25774 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL895834 0.80 SMN1; SMN2 (0.40) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL12292607 0.77 ATM (0.43) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL896025 0.73 PKM (0.46) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL14916461 0.73 NAALAD2 (0.38) MEN1MAPTKMT2ACTSKCTSS
SCHEMBL27827148 0.71 CA12 (0.48) MEN1KMT2ACA12CA1CA2
SCHEMBL16309672 0.70 ATM (0.49) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL8583632 0.70 ATM (0.68) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL28724368 0.70 CTSK (0.38) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL434612 0.69 CA12 (0.43) MEN1KMT2AL3MBTL1CA12CA1
SCHEMBL14733170 0.69 ATM (0.70) MEN1MAPTKMT2AATML3MBTL1

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