SCHEMBL6091372

SCHEMBL6091372

Cc1cc(CN)cc(C)c1OCC(CO)CO.Cc1sc(C(=O)O)c2c1[C@H]1[C@@H](C2)C1(C)C

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.75
S1PR3 Q99500 19/20 0.75

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
SCHEMBL6089568 0.88 S1PR1 (0.74) S1PR1S1PR3
SCHEMBL1384043 0.88 S1PR1 (0.74) S1PR1S1PR3
SCHEMBL2950882 0.86 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2942937 0.85 S1PR1 (0.76) S1PR1S1PR3
SCHEMBL5220824 0.83 S1PR1 (0.57) S1PR1S1PR3
SCHEMBL6091142 0.81 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL6090203 0.81 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL4687680 0.79 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL6111387 0.79 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL1383088 0.79 S1PR1 (0.59) 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
WO-2006010379-A1 NOVEL THIOPHENE DERIVATIVES AS IMMUNOSUPPRESSIVE AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2006-02-02 WO disclosed