SCHEMBL2833398

SCHEMBL2833398

CCn1nc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)c2c1CC(C)(C)CC2.CCn1nc(-c2nc(-c3ccc(O)nc3C)no2)c2c1CC(C)(C)CC2

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.44
S1PR3 Q99500 16/20 0.43
S1PR5 Q9H228 16/20 0.43

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
SCHEMBL2470325 0.94 S1PR1 (0.49) S1PR1S1PR3S1PR5
SCHEMBL2474987 0.88 S1PR1 (0.45) S1PR1S1PR3S1PR5
SCHEMBL2473926 0.87 S1PR1 (0.41) S1PR1S1PR3S1PR5
SCHEMBL2474335 0.87 S1PR1 (0.32) S1PR1S1PR3
SCHEMBL2833395 0.86 S1PR1 (0.40) S1PR1S1PR3S1PR5
SCHEMBL2475990 0.86 S1PR1 (0.40) S1PR1S1PR3S1PR5
SCHEMBL2475496 0.84 S1PR1 (0.45) S1PR1S1PR3S1PR5
SCHEMBL2467453 0.83 S1PR1 (0.36) S1PR1S1PR3S1PR5
SCHEMBL2467232 0.83 S1PR1 (0.40) S1PR1S1PR3S1PR5
SCHEMBL3461503 0.82 S1PR1 (0.43) 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-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO disclosed