SCHEMBL8952649

SCHEMBL8952649

Cn1c(CC(O)C(C)(O)CCC(O)C(C)(C)O)nc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 4/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL8952568 0.80 L3MBTL1 (0.43) GAAL3MBTL1HSD17B10SMN1; SMN2HPGD
SCHEMBL8952643 0.79 L3MBTL1 (0.43) GAAL3MBTL1HSD17B10SMN1; SMN2HPGD
SCHEMBL8952594 0.79 L3MBTL1 (0.43) GAAL3MBTL1HSD17B10SMN1; SMN2HPGD
SCHEMBL8952578 0.74 GAA (0.49) GAAL3MBTL1HSD17B10SMN1; SMN2HPGD
SCHEMBL11293663 0.74 L3MBTL1 (0.57) GAAL3MBTL1HSD17B10HPGDCYP2C9
SCHEMBL5088230 0.72 SMN1; SMN2 (0.45) GAAL3MBTL1HSD17B10SMN1; SMN2HPGD
SCHEMBL515834 0.71 KDM4E (0.54) GAAL3MBTL1HSD17B10SMN1; SMN2HPGD
SCHEMBL8952569 0.71 KDM4E (0.46) GAAL3MBTL1HSD17B10SMN1; SMN2HPGD
SCHEMBL9419701 0.71 L3MBTL1 (0.48) GAAL3MBTL1HSD17B10SMN1; SMN2HPGD
SCHEMBL8952659 0.71 HSD17B10 (0.49) GAAL3MBTL1HSD17B10SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669825-A4 HYDROXYL-CONTAINING COMPOUNDS. CELL THERAPEUTICS INC (US) 1996-04-03 — — EP disclosed
EP-0669825-A1 HYDROXYL-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1995-09-06 — — EP disclosed
WO-1994011001-A1 HYDROXYL-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-05-26 — — WO disclosed
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