SCHEMBL16130305

SCHEMBL16130305

Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)OCCO4)S/C2=N\C(C)C)c1C

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 20/20 0.68
▸ S1PR3 Q99500 20/20 0.68

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
SCHEMBL16130304 0.94 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL945347 0.92 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL12912661 0.91 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL16130283 0.91 S1PR3 (0.73) S1PR1S1PR3
SCHEMBL1410271 0.90 S1PR1 (0.66) S1PR1S1PR3
SCHEMBL12912662 0.89 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL16130297 0.87 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL16130235 0.87 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL16130298 0.86 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL16130257 0.86 S1PR1 (0.68) 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
US-RE45174-E1 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-09-30 — — US disclosed
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