SCHEMBL5907693

SCHEMBL5907693

CCC(C)COC(=O)CC(C)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ELANE P08246 1/20 0.38
PRKCA P17252 1/20 0.37
TSHR P16473 2/20 0.36
RECQL P46063 1/20 0.35
CYP3A4 P08684 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FFAR1 O14842 1/20 0.34
KDM4E B2RXH2 1/20 0.33
DUSP3 P51452 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL9744311 0.86 MAPT (0.42) MAPTELANEPRKCATSHRRECQL
SCHEMBL574287 0.85 MAPT (0.44) MAPTELANEPRKCATSHRRECQL
SCHEMBL14069518 0.84 MAPT (0.41) MAPTELANEPRKCATSHRRECQL
SCHEMBL14672440 0.84 MAPT (0.41) MAPTELANEPRKCATSHRRECQL
SCHEMBL5907649 0.84 MAPT (0.44) MAPTPRKCATSHRRECQLCYP3A4
SCHEMBL19899199 0.83 MAPT (0.43) MAPTPRKCATSHRRECQLCYP3A4
SCHEMBL21775801 0.83 MAPT (0.43) MAPTPRKCATSHRRECQLCYP3A4
SCHEMBL21775800 0.83 MAPT (0.43) MAPTPRKCATSHRRECQLCYP3A4
SCHEMBL24414507 0.82 MAPT (0.53) MAPTPRKCATSHRTDP1KDM4E
SCHEMBL24414468 0.82 MAPT (0.53) MAPTPRKCATSHRTDP1KDM4E

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
US-20060046286-A1 Method for preparing optically active beta-butyrolactones TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-02 US disclosed