SCHEMBL2231735

SCHEMBL2231735

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 3/20 0.49
GABBR1 Q9UBS5 3/20 0.49
CYP2C9 P11712 3/20 0.49
LMNA P02545 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP3A4 P08684 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
NFKB1 P19838 1/20 0.49
DRD3 P35462 1/20 0.49
BLM P54132 1/20 0.49
CYP1A2 P05177 1/20 0.49
THRB P10828 1/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.45
FNTA P49354 4/20 0.44
FNTB P49356 4/20 0.44
PRKCZ Q05513 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
SCHEMBL2233805 0.89 GABBR2 (0.48) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL2231116 0.87 ATM (0.47) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL2230623 0.87 LMNA (0.46) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL2231321 0.85 GABBR2 (0.47) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL2230680 0.84 GABBR2 (0.54) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL19065290 0.83 GABBR2 (0.45) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL2233092 0.82 ATM (0.44) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL19065277 0.82 GABBR2 (0.43) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL4757505 0.81 GABBR2 (0.48) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL2231575 0.81 GABBR2 (0.48) GABBR2GABBR1CYP2C9LMNACYP2D6

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