SCHEMBL2459464

SCHEMBL2459464

Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2C3C2(C)C)cc(C)c1OCCCNC(=O)CO

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 18/20 1.00

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
SCHEMBL2458105 1.00 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2456500 0.89 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2457314 0.89 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2946074 0.89 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2455511 0.89 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2456222 0.88 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2458596 0.88 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2455869 0.87 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL4686759 0.87 S1PR1 (0.93) S1PR1S1PR3
SCHEMBL4684807 0.87 S1PR1 (0.86) 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-1863475-B1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-07 EP disclosed