SCHEMBL4754537

SCHEMBL4754537

O=C(O)CCC(NC(=O)OCCOC(=O)c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 18/20 0.47
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL2231327 0.91 UTS2R (0.47) UTS2RKDM4EGAA
SCHEMBL4757392 0.90 UTS2R (0.45) UTS2RKDM4EGAATDP1
SCHEMBL351149 0.83 UTS2R (0.43) UTS2R
SCHEMBL4755055 0.81 UTS2R (0.42) UTS2R
SCHEMBL2230681 0.81 UTS2R (0.42) UTS2RKDM4EGAA
SCHEMBL6684836 0.81 SMN1; SMN2 (0.48) UTS2R
SCHEMBL637670 0.81 UTS2R (0.45) UTS2RKDM4EGAA
SCHEMBL27636974 0.80 UTS2R (0.47) UTS2R
SCHEMBL636473 0.80 UTS2R (0.40) UTS2R
SCHEMBL2231009 0.79 UTS2R (0.46) UTS2R

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
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