SCHEMBL4687465

SCHEMBL4687465

COc1cc(OCCO)cc(OC)c1CCC(=O)c1sc(C)c2c1C[C@@H]1[C@H]2C1(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 1.00
S1PR3 Q99500 12/20 0.81

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
SCHEMBL4687461 0.91 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2949249 0.89 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL4688938 0.88 S1PR1 (0.78) S1PR1S1PR3
SCHEMBL4683368 0.86 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL4689609 0.85 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL4687528 0.84 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2942475 0.83 S1PR1 (0.89) S1PR1S1PR3
SCHEMBL2951489 0.83 S1PR1 (0.89) S1PR1S1PR3
SCHEMBL4688479 0.82 S1PR1 (0.91) S1PR1S1PR3
SCHEMBL2948159 0.82 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