SCHEMBL4630244

SCHEMBL4630244

CCS(=O)(=O)c1ncco1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.32
COMT P21964 1/20 0.32
FAAH O00519 2/20 0.31
CES1 P23141 1/20 0.31
CHRNA7 P36544 1/20 0.30
CHRNA10 Q9GZZ6 1/20 0.30
CHRNA9 Q9UGM1 1/20 0.30

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
SCHEMBL2203131 0.78
SCHEMBL1029001 0.77
SCHEMBL502841 0.77 CHRNB2 (0.30) CHRNA7
SCHEMBL7575704 0.76 ALDH1A1 (0.41)
SCHEMBL329095 0.75
SCHEMBL1411742 0.74 ALDH1A1 (0.44) FAAHCES1
SCHEMBL28516259 0.73
SCHEMBL1259844 0.73
SCHEMBL1128145 0.73
SCHEMBL329096 0.73

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981837-A2 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY Praecis Pharmaceuticals Incorporated (US) 2008-10-22 EP disclosed
WO-2007092190-A2 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY PRAECIS PHARMACEUTICALS, INC. (US) 2007-08-16 WO disclosed
US-4143047-A 2-SULFINYL AND 2-SULFONYL OXAZOLES LILLY INDUSTRIES LIMITED (GB) 1979-03-06 US disclosed