SCHEMBL4755055

SCHEMBL4755055

CCCC(=O)OCCOC(=O)NC(CCC(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 15/20 0.42
FAAH O00519 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 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
SCHEMBL637958 0.95 EPHX2 (0.43) UTS2RFAAHHRH4HRH3SMN1; SMN2
SCHEMBL2230625 0.92 UTS2R (0.40) UTS2RSMN1; SMN2LMNAHTT
SCHEMBL4757551 0.89 UTS2R (0.38) UTS2RFAAHHRH4HRH3SMN1; SMN2
SCHEMBL6684836 0.88 SMN1; SMN2 (0.48) UTS2RFAAHHRH4HRH3SMN1; SMN2
SCHEMBL5982655 0.87 CCKBR (0.48) UTS2RHTT
SCHEMBL351149 0.86 UTS2R (0.43) UTS2RHRH4HRH3SMN1; SMN2LMNA
SCHEMBL638122 0.85 UTS2R (0.39) UTS2RFAAHHRH4HRH3SMN1; SMN2
SCHEMBL5983831 0.84 MEN1 (0.39) UTS2RFAAHHRH4HRH3SMN1; SMN2
SCHEMBL638835 0.84 EPHX2 (0.41) UTS2RFAAHHRH4HRH3SMN1; SMN2
SCHEMBL2231578 0.83 UTS2R (0.39) 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