SCHEMBL4440602

SCHEMBL4440602

[CH2]C(CC)OC(=O)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
CASP3 P42574 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.42
HTR7 P34969 1/20 0.42
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL9351746 0.82 TSHR (0.53) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL4780697 0.81 MAPT (0.57) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL2988615 0.81 MAPT (0.57) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL2984082 0.81 MAPT (0.57) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL3026906 0.80 MAPT (0.49) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL3010791 0.80 MAPT (0.49) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL18668951 0.78 MAPT (0.45) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL9247642 0.76 CA12 (0.68) MAPTKMT2AMEN1ADRB2ADRB1
SCHEMBL9498568 0.74 ALDH1A1 (0.49) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL22978547 0.74 CES2 (0.50) MAPTKMT2AMEN1ADRB2ADRB1

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-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