SCHEMBL13019652

SCHEMBL13019652

CCOC(=O)CCCN1CCc2c(ccc(-c3nnc(-c4ccc(OC(C)C)c(N)c4)s3)c2C)C1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.47
S1PR5 Q9H228 2/20 0.46
S1PR3 Q99500 3/20 0.39
CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL2115977 0.90 S1PR1 (0.58) S1PR1S1PR5S1PR3
SCHEMBL2605669 0.90 S1PR1 (0.47) S1PR1S1PR5S1PR3
SCHEMBL2605718 0.89 S1PR1 (0.44) S1PR1S1PR5S1PR3
SCHEMBL2605666 0.87 S1PR1 (0.46) S1PR1S1PR5S1PR3
SCHEMBL2115107 0.85 S1PR1 (0.61) S1PR1S1PR5S1PR3
SCHEMBL2121453 0.83 S1PR1 (0.60) S1PR1S1PR5S1PR3
SCHEMBL2605656 0.82 S1PR1 (0.57) S1PR1S1PR5S1PR3
SCHEMBL2118883 0.82 S1PR1 (0.68) S1PR1S1PR5S1PR3
SCHEMBL10100445 0.81 S1PR1 (0.71) S1PR1S1PR5
SCHEMBL2123115 0.81 S1PR1 (0.68) S1PR1S1PR5S1PR3

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-2010145202-A1 THIAZOLE OR THIADIZALOE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-23 WO disclosed