SCHEMBL4687641

SCHEMBL4687641

COc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)ccc1OCC(C)O

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.79
S1PR3 Q99500 16/20 0.65

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
SCHEMBL4689385 0.92 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL4687130 0.92 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL4689432 0.91 S1PR1 (0.78) S1PR1S1PR3
SCHEMBL4684142 0.91 S1PR1 (0.80) S1PR1S1PR3
SCHEMBL4686775 0.90 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL4689622 0.90 S1PR1 (0.78) S1PR1S1PR3
SCHEMBL4689609 0.88 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL4685099 0.87 S1PR1 (0.92) S1PR1S1PR3
SCHEMBL4689350 0.86 S1PR1 (0.70) S1PR1S1PR3
SCHEMBL4688363 0.86 S1PR1 (0.76) S1PR1S1PR3

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-1805163-B1 1,1A,5,5A-TETRAHYDRO-3-THIA-CYCLOPROPA[A]PENTALENES: TRICYCLIC THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-01 EP disclosed