SCHEMBL4688352

SCHEMBL4688352

Cc1sc(C(=O)CCc2ccc(OCCCO)cc2)c2c1[C@H]1[C@@H](C2)C1(C)C

nearest known ligand 0.91

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.91
S1PR3 Q99500 14/20 0.91

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
SCHEMBL4687528 0.95 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL1382425 0.90 S1PR1 (0.76) S1PR1S1PR3
SCHEMBL4689345 0.87 S1PR1 (0.91) S1PR1S1PR3
SCHEMBL4689613 0.87 S1PR1 (0.78) S1PR1S1PR3
SCHEMBL4685775 0.86 S1PR1 (0.77) S1PR1S1PR3
SCHEMBL4687661 0.86 S1PR1 (0.77) S1PR1S1PR3
SCHEMBL4685027 0.86 S1PR1 (0.91) S1PR1S1PR3
SCHEMBL4688363 0.86 S1PR1 (0.76) S1PR1S1PR3
SCHEMBL2455511 0.86 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2946074 0.86 S1PR1 (1.00) 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