SCHEMBL16130307

SCHEMBL16130307

Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCCO4)S/C2=N\C(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 20/20 0.65
▸ S1PR3 Q99500 20/20 0.65

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
SCHEMBL16130306 0.94 S1PR1 (0.65) S1PR1S1PR3
SCHEMBL944429 0.91 S1PR3 (0.69) S1PR1S1PR3
SCHEMBL12912659 0.89 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL16130238 0.89 S1PR3 (0.67) S1PR1S1PR3
SCHEMBL16130326 0.89 S1PR3 (0.67) S1PR1S1PR3
SCHEMBL12912658 0.88 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL16130279 0.88 S1PR3 (0.71) S1PR1S1PR3
SCHEMBL16130297 0.87 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL17295281 0.87 FAAH (0.62) S1PR1S1PR3
SCHEMBL17295279 0.87 FAAH (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 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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