SCHEMBL4690563

SCHEMBL4690563

Cc1cc(OC[C@@H](O)CO)cc(C)c1CCC(=O)c1sc(C)c2c1C[C@@H]1[C@H]2C1(C)C

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.77
S1PR3 Q99500 16/20 0.75

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
SCHEMBL4687406 1.00 S1PR1 (0.77) S1PR1S1PR3
SCHEMBL4684056 0.91 S1PR1 (0.78) S1PR1S1PR3
SCHEMBL4688938 0.91 S1PR1 (0.78) S1PR1S1PR3
SCHEMBL4686528 0.91 S1PR1 (0.77) S1PR1S1PR3
SCHEMBL4687461 0.87 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL4687661 0.86 S1PR1 (0.77) S1PR1S1PR3
SCHEMBL4685027 0.86 S1PR1 (0.91) S1PR1S1PR3
SCHEMBL2943112 0.86 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2945691 0.86 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2947493 0.84 S1PR1 (0.80) 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