SCHEMBL4974402

SCHEMBL4974402

CCc1cc(-c2noc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)n2)cc(C)c1CCC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 1.00
S1PR3 Q99500 14/20 1.00
S1PR5 Q9H228 1/20 1.00

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
SCHEMBL4279459 0.81 S1PR1 (0.69) S1PR1S1PR3S1PR5
SCHEMBL1857324 0.80 S1PR1 (0.67) S1PR1S1PR3S1PR5
SCHEMBL2747674 0.78 S1PR1 (0.63) S1PR1S1PR3S1PR5
SCHEMBL4275506 0.77 S1PR1 (0.80) S1PR1S1PR3S1PR5
SCHEMBL1862109 0.76 S1PR1 (0.76) S1PR1S1PR3S1PR5
SCHEMBL4276052 0.76 S1PR1 (0.77) S1PR1S1PR3S1PR5
SCHEMBL4274575 0.75 S1PR1 (0.71) S1PR1S1PR3S1PR5
SCHEMBL4265671 0.75 S1PR1 (0.84) S1PR1S1PR3S1PR5
SCHEMBL5510818 0.75 S1PR1 (0.73) S1PR1S1PR3S1PR5
SCHEMBL4267246 0.74 S1PR1 (0.86) S1PR1S1PR3S1PR5

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
EP-1863474-B1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-12 EP disclosed