SCHEMBL4685017

SCHEMBL4685017

CCc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(C)O

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.79
S1PR3 Q99500 18/20 0.74

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
SCHEMBL2942268 0.94 S1PR1 (0.83) S1PR1S1PR3
SCHEMBL2942324 0.94 S1PR1 (0.83) S1PR1S1PR3
SCHEMBL2942327 0.94 S1PR1 (0.83) S1PR1S1PR3
SCHEMBL2942271 0.94 S1PR1 (0.83) S1PR1S1PR3
SCHEMBL2940099 0.92 S1PR1 (0.89) S1PR1S1PR3
SCHEMBL2942912 0.92 S1PR1 (0.89) S1PR1S1PR3
SCHEMBL2945646 0.90 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL2944814 0.88 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL1383646 0.88 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2946217 0.87 S1PR1 (0.84) 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