SCHEMBL6089568

SCHEMBL6089568

Cc1cc(CN)cc(C)c1OCCO.Cc1sc(C(=O)O)c2c1[C@H]1[C@@H](C2)C1(C)C

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.74
S1PR3 Q99500 15/20 0.74

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
SCHEMBL1384043 0.95 S1PR1 (0.74) S1PR1S1PR3
SCHEMBL6111387 0.88 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL6091372 0.88 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL5220824 0.85 S1PR1 (0.57) S1PR1S1PR3
SCHEMBL2458596 0.85 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL2940042 0.84 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL6092045 0.84 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL13237037 0.81 S1PR1 (0.89) S1PR1S1PR3
SCHEMBL5224901 0.81 S1PR1 (0.55) S1PR1S1PR3
SCHEMBL2943602 0.81 S1PR1 (0.70) 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