SCHEMBL2231007

SCHEMBL2231007

CCCC(OC(=O)NC[C@H](CC(=O)O)c1ccc(Cl)cc1)OC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.42
FNTB P49356 5/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GABBR2 O75899 3/20 0.41
GABBR1 Q9UBS5 3/20 0.41
LMNA P02545 3/20 0.41
CYP2C9 P11712 2/20 0.41
MEN1 O00255 2/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
NFKB1 P19838 1/20 0.41
DRD3 P35462 1/20 0.41
BLM P54132 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 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
SCHEMBL637957 0.86 GABBR2 (0.42) FNTAFNTBGABBR2GABBR1LMNA
SCHEMBL27658087 0.81 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3LMNACYP2C9
SCHEMBL2231009 0.79 UTS2R (0.46) UTS2R
SCHEMBL636727 0.79 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3LMNACYP2C9
SCHEMBL638121 0.79 GABBR2 (0.43) FNTAFNTBGABBR2GABBR1LMNA
SCHEMBL4754536 0.78 GABBR2 (0.47) FNTAFNTBSLC6A2SLC6A4SLC6A3
SCHEMBL3983619 0.78 GABBR2 (0.47) FNTAFNTBSLC6A2SLC6A4SLC6A3
SCHEMBL2231321 0.78 GABBR2 (0.47) FNTAFNTBSLC6A2SLC6A4SLC6A3
SCHEMBL2231634 0.77 GABBR2 (0.51) FNTAFNTBGABBR2GABBR1LMNA
SCHEMBL2230117 0.75 GABBR2 (0.49) FNTAFNTBGABBR2GABBR1LMNA

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
EP-2354120-A1 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XenoPort, Inc. (US) 2011-08-10 EP disclosed