SCHEMBL5504812

SCHEMBL5504812

CCc1cc(CCC(=O)c2sc(CC)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CN(C)CCC(N)=O

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.69
S1PR3 Q99500 16/20 0.69

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
SCHEMBL1853090 0.87 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL1862165 0.86 S1PR1 (0.92) S1PR1S1PR3
SCHEMBL1853088 0.86 S1PR1 (0.73) S1PR1S1PR3
SCHEMBL1860169 0.84 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL1858780 0.83 S1PR1 (0.85) S1PR1S1PR3
SCHEMBL1858713 0.82 S1PR1 (0.82) S1PR1S1PR3
SCHEMBL1862175 0.82 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL1856207 0.82 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL1856205 0.82 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL1853701 0.82 S1PR1 (0.79) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863787-A1 HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS Actelion Pharmaceuticals Ltd. (CH) 2007-12-12 EP claimed
WO-2006100631-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 WO claimed