SCHEMBL2230588

SCHEMBL2230588

CC(=O)OC(OC(=O)NC(CCC(=O)O)c1ccc(Cl)cc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
UTS2R Q9UKP6 17/20 0.40
CYP26A1 O43174 2/20 0.38

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
SCHEMBL635523 0.90 KMT2A (0.41) KMT2AUTS2RCYP26A1
SCHEMBL916875 0.89 UTS2R (0.36) KMT2AUTS2R
SCHEMBL2231579 0.88 UTS2R (0.41) KMT2AUTS2R
SCHEMBL2231231 0.88 KMT2A (0.40) KMT2AUTS2RCYP26A1
SCHEMBL638816 0.85 UTS2R (0.42) KMT2AUTS2R
SCHEMBL2230119 0.84 UTS2R (0.42) KMT2AUTS2R
SCHEMBL2231639 0.84 UTS2R (0.43) KMT2AUTS2R
SCHEMBL2230567 0.80 UTS2R (0.40) KMT2AUTS2R
SCHEMBL916410 0.80 UTS2R (0.41) KMT2AUTS2RCYP26A1
SCHEMBL2231738 0.80 UTS2R (0.42) KMT2AUTS2R

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-2354120-A1 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XenoPort, Inc. (US) 2011-08-10 EP disclosed
WO-2008157408-A2 USE OF PRODRUGS OF GABA ANALOGS, ANTISPASTICITY AGENTS, AND PRODRUGS OF GABA B RECEPTOR AGONISTS FOR TREATING SPASTICITY XENOPORT, INC. (US) 2008-12-24 WO disclosed