SCHEMBL3398666

SCHEMBL3398666

CCCC(=O)OCC(C)COC(C)=S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
DUSP3 P51452 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PRKCA P17252 3/20 0.37
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
ENPP2 Q13822 4/20 0.35
LPAR6 P43657 3/20 0.35
LPAR1 Q92633 3/20 0.35
LPAR4 Q99677 3/20 0.35
LPAR5 Q9H1C0 3/20 0.35

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
SCHEMBL9756867 0.88 MAPT (0.52) MAPTALDH1A1LMNACYP3A4TSHR
SCHEMBL985280 0.80 MAPT (0.48) MAPTALDH1A1LMNACYP3A4TSHR
SCHEMBL29473913 0.80 MAPT (0.48) MAPTALDH1A1LMNACYP3A4TSHR
SCHEMBL2251000 0.79 LMNA (0.49) MAPTALDH1A1LMNACYP3A4TSHR
SCHEMBL9756895 0.79 LMNA (0.49) MAPTALDH1A1LMNACYP3A4TSHR
SCHEMBL2147398 0.78 TSHR (0.34) MAPTTSHR
SCHEMBL3401939 0.78 TDP1 (0.41) MAPTALDH1A1LMNACYP3A4TSHR
SCHEMBL18759578 0.76 MAPT (0.48) MAPTALDH1A1LMNACYP3A4TSHR
SCHEMBL9756884 0.76 MAPT (0.63) MAPTALDH1A1LMNACYP3A4TSHR
SCHEMBL30366092 0.76 MAPT (0.52) MAPTALDH1A1LMNACYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250143-A2 METHOD FOR THE ENZYMATIC KINETIC RESOLUTION OF ACYLOXYALKYL THIOCARBONATES USED FOR THE SYNTHESIS OF ACYLOXYALKYL CARBAMATES XenoPort, Inc. (US) 2010-11-17 EP disclosed
WO-2009094569-A2 METHOD FOR THE ENZYMATIC KINETIC RESOLUTION OF ACYLOXYALKYL THIOCARBONATES USED FOR THE SYNTHESIS OF ACYLOXYALKYL CARBAMATES XENOPORT, INC. (US) 2009-07-30 WO disclosed