SCHEMBL4440600

SCHEMBL4440600

C[CH]C(C)OC(=O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
CES2 O00748 1/20 0.42

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
SCHEMBL2988614 1.00 MAPT (0.47) MAPTCA1CA2CA12CA7
SCHEMBL2984081 1.00 MAPT (0.47) MAPTCA1CA2CA12CA7
SCHEMBL4445776 0.81 TSHR (0.55) MAPTCA1CA2CA12CA7
SCHEMBL2982474 0.81 TSHR (0.55) MAPTCA1CA2CA12CA7
SCHEMBL2980320 0.81 TSHR (0.55) MAPTCA1CA2CA12CA7
SCHEMBL9247642 0.81 CA12 (0.68) MAPTCA1CA2CA12CA7
SCHEMBL20816263 0.80 MAPT (0.43) MAPTCA1CA2CA12CA7
SCHEMBL20844923 0.79 SMN1; SMN2 (0.42) MAPTCA1CA2CA12CA7
SCHEMBL22978547 0.79 CES2 (0.50) MAPTCA1CA2CA12CA7
SCHEMBL3026906 0.78 MAPT (0.49) MAPTCA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125702-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE Xenoport, Inc. (US) 2009-12-02 EP claimed
WO-2008076458-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2008-06-26 WO claimed
EP-1751087-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2007-02-14 EP claimed
WO-2005121069-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2005-12-22 WO claimed
WO-2008034087-A2 TREATING SCHIZOPHRENIA WITH COMBINATIONS OF LEVODOPA AND AN ANTIPSYCHOTIC AGENT XENOPORT, INC. (US) 2008-03-20 WO disclosed