SCHEMBL7746830

SCHEMBL7746830

CC(C)C(=O)O[C@H]1CCOC1=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 4/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7746827 1.00 POLB (0.56) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7747755 1.00 POLB (0.56) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL17717479 0.86 POLB (0.54) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12705164 0.86 POLB (0.54) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL17550596 0.84 POLB (0.49) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL23365421 0.83 KDM4E (0.51) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL13779882 0.83 POLB (0.51) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL786141 0.83 KDM4E (0.51) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL19052045 0.83 POLB (0.51) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12294040 0.82 KDM4E (0.50) POLBKDM4EALDH1A1HPGDHSD17B10

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
WO-2001018231-A2 METHOD FOR PRODUCING (R) OR (S)-HYDROXY-η-BUTYROLACTONE LONZA AG (CH) 2001-03-15 WO disclosed