SCHEMBL2230566

SCHEMBL2230566

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 3/20 0.47
GABBR1 Q9UBS5 3/20 0.47
LMNA P02545 2/20 0.47
CYP2C9 P11712 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
NFKB1 P19838 1/20 0.47
DRD3 P35462 1/20 0.47
BLM P54132 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.43
FNTA P49354 4/20 0.43
FNTB P49356 4/20 0.43
PTGFR P43088 2/20 0.40

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
SCHEMBL351537 1.00 GABBR2 (0.47) GABBR2GABBR1LMNACYP2C9KMT2A
SCHEMBL351148 1.00 GABBR2 (0.47) GABBR2GABBR1LMNACYP2C9KMT2A
Arbaclofen Placarbil SCHEMBL2472988 0.91 GABBR2 (0.47) GABBR2GABBR1LMNACYP2C9KMT2A
Arbaclofen Placarbil SCHEMBL3375708 0.91 GABBR2 (0.47) GABBR2GABBR1LMNACYP2C9KMT2A
Arbaclofen Placarbil SCHEMBL349961 0.91 GABBR2 (0.47) GABBR2GABBR1LMNACYP2C9KMT2A
Arbaclofen Placarbil SCHEMBL638204 0.91 GABBR2 (0.47) GABBR2GABBR1LMNACYP2C9KMT2A
Arbaclofen Placarbil SCHEMBL351833 0.91 GABBR2 (0.47) GABBR2GABBR1LMNACYP2C9KMT2A
Arbaclofen Placarbil SCHEMBL14689601 0.89 GABBR2 (0.46) GABBR2GABBR1LMNACYP2C9KMT2A
Arbaclofen Placarbil SCHEMBL14689524 0.89 GABBR2 (0.46) GABBR2GABBR1LMNACYP2C9KMT2A
Arbaclofen Placarbil SCHEMBL14692761 0.89 GABBR2 (0.46) GABBR2GABBR1LMNACYP2C9KMT2A

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