SCHEMBL6090755

SCHEMBL6090755

COc1cc(OCCO)ccc1CN.Cc1sc(C(=O)O)c2c1[C@H]1[C@@H](C2)C1(C)C

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.76
S1PR3 Q99500 8/20 0.76

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
SCHEMBL6093010 0.96 S1PR1 (0.70) S1PR1S1PR3
SCHEMBL6111416 0.94 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL6091246 0.87 S1PR1 (0.58) S1PR1S1PR3
SCHEMBL2949249 0.86 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2948150 0.86 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL6092111 0.85 S1PR1 (0.71) S1PR1S1PR3
SCHEMBL5218838 0.83 S1PR1 (0.70) S1PR1S1PR3
SCHEMBL2944809 0.83 S1PR1 (0.91) S1PR1S1PR3
SCHEMBL2946083 0.83 S1PR1 (0.94) S1PR1S1PR3
SCHEMBL2944201 0.81 S1PR1 (0.91) 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
WO-2006010379-A1 NOVEL THIOPHENE DERIVATIVES AS IMMUNOSUPPRESSIVE AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2006-02-02 WO claimed
WO-2006010379-A1 NOVEL THIOPHENE DERIVATIVES AS IMMUNOSUPPRESSIVE AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2006-02-02 WO disclosed