SCHEMBL8952568

SCHEMBL8952568

C[C@H](CCc1nc2c(c(=O)[nH]c(=O)n2C)n1C)CCC(O)C(C)(C)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ HSD17B10 Q99714 4/20 0.42
▸ ALDH1A1 P00352 10/20 0.41
▸ MAPK1 P28482 5/20 0.41
▸ HPGD P15428 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL8952643 0.94 L3MBTL1 (0.43) L3MBTL1GAAHSD17B10ALDH1A1MAPK1
SCHEMBL8952594 0.94 L3MBTL1 (0.43) L3MBTL1GAAHSD17B10ALDH1A1MAPK1
SCHEMBL8952649 0.80 GAA (0.41) L3MBTL1GAAHSD17B10ALDH1A1MAPK1
SCHEMBL8952374 0.79 ALDH1A1 (0.49) L3MBTL1GAAHSD17B10ALDH1A1MAPK1
SCHEMBL8952238 0.79 ALDH1A1 (0.49) L3MBTL1GAAHSD17B10ALDH1A1MAPK1
SCHEMBL9419701 0.78 L3MBTL1 (0.48) L3MBTL1GAAHSD17B10ALDH1A1MAPK1
SCHEMBL8952646 0.77 L3MBTL1 (0.47) L3MBTL1GAAHSD17B10ALDH1A1MAPK1
SCHEMBL5085693 0.76 L3MBTL1 (0.49) L3MBTL1GAAHSD17B10ALDH1A1MAPK1
SCHEMBL4749492 0.76 L3MBTL1 (0.49) L3MBTL1GAAHSD17B10ALDH1A1MAPK1
SCHEMBL8952589 0.75 L3MBTL1 (0.48) L3MBTL1GAAHSD17B10ALDH1A1MAPK1

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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