SCHEMBL30458048

SCHEMBL30458048

CC(C)C(=O)OCC12CCC(CC1)C2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31

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
SCHEMBL13705805 0.81 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL25382767 0.81 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL25382769 0.79 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL1316622 0.76 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL10358421 0.75 MEN1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL27102030 0.75 MEN1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL1848753 0.75 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL1848755 0.75 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL1318679 0.74 TSHR (0.37) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL13330729 0.73 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AL3MBTL1

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-116194144-A Prodrugs of phosphoramide nucleotide analogs and pharmaceutical uses thereof 吉利德科学公司 2023-05-30 CN disclosed