SCHEMBL6090203

SCHEMBL6090203

Cc1cc(CN)ccc1OC[C@@H](O)CO.Cc1sc(C(=O)O)c2c1[C@H]1[C@@H](C2)C1(C)C

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.62
S1PR3 Q99500 16/20 0.62

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
SCHEMBL6091142 1.00 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL6091352 0.92 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL6090845 0.92 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL1383088 0.88 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL6111387 0.88 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL1381535 0.88 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL6092045 0.87 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL2947425 0.87 S1PR1 (0.80) S1PR1S1PR3
SCHEMBL2942256 0.85 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL2947262 0.85 S1PR1 (0.64) 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