SCHEMBL8952643

SCHEMBL8952643

C[C@@H](CCCc1nc2c(c(=O)[nH]c(=O)n2C)n1C)CCC(O)C(C)(C)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ HSD17B10 Q99714 5/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 8/20 0.39
▸ TSHR P16473 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GFER P55789 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ATM Q13315 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
SCHEMBL8952594 1.00 L3MBTL1 (0.43) L3MBTL1GAAHSD17B10SMN1; SMN2KDM4E
SCHEMBL8952568 0.94 L3MBTL1 (0.43) L3MBTL1GAAHSD17B10SMN1; SMN2KDM4E
SCHEMBL9419701 0.82 L3MBTL1 (0.48) L3MBTL1GAAHSD17B10SMN1; SMN2KDM4E
SCHEMBL8952322 0.80 ALDH1A1 (0.45) L3MBTL1GAAHSD17B10SMN1; SMN2KDM4E
SCHEMBL8952243 0.80 ALDH1A1 (0.45) L3MBTL1GAAHSD17B10SMN1; SMN2KDM4E
SCHEMBL4749492 0.80 L3MBTL1 (0.49) L3MBTL1GAAHSD17B10SMN1; SMN2KDM4E
SCHEMBL5085693 0.80 L3MBTL1 (0.49) L3MBTL1GAAHSD17B10SMN1; SMN2KDM4E
SCHEMBL1495136 0.80 L3MBTL1 (0.49) L3MBTL1GAAHSD17B10SMN1; SMN2KDM4E
SCHEMBL9027331 0.80 MAPT (0.40) L3MBTL1GAAHSD17B10SMN1; SMN2KDM4E
SCHEMBL8952697 0.79 L3MBTL1 (0.48) L3MBTL1GAAHSD17B10SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0662834-A4 NOVEL EPOXIDE-CONTAINING COMPOUNDS. CELL THERAPEUTICS INC (US) 1996-04-17 — — EP disclosed
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
EP-0662834-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1995-07-19 — — EP disclosed
WO-1994011001-A1 HYDROXYL-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-05-26 — — WO disclosed
WO-1994006431-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-03-31 — — WO disclosed
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