SCHEMBL2122145

SCHEMBL2122145

CC(C)Oc1ccc(-c2nnc(-c3ccc4c(c3)CCN(C(=O)O)CC4C(C)(C)C)s2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.51
S1PR3 Q99500 1/20 0.50

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
SCHEMBL2122669 0.91 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL2122212 0.88 S1PR1 (0.47) S1PR1S1PR3
SCHEMBL2122146 0.86 S1PR1 (0.50) S1PR1S1PR3
SCHEMBL3664926 0.84 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL2122672 0.79 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL2116707 0.78 S1PR1 (0.52) S1PR1S1PR3
SCHEMBL3664827 0.76 S1PR1 (0.47) S1PR1S1PR3
SCHEMBL2122214 0.74 S1PR1 (0.50) S1PR1S1PR3
SCHEMBL2124787 0.74 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL3664816 0.74 S1PR1 (0.62) 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-2443112-A1 THIAZOLE OR THIADIZALOE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-04-25 EP disclosed
WO-2010145202-A1 THIAZOLE OR THIADIZALOE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-23 WO disclosed