SCHEMBL16130332

SCHEMBL16130332

CC(C)/N=C1\S/C(=C\c2ccc3c(c2)OCCO3)C(=O)N1c1ccccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ S1PR3 Q99500 20/20 0.71
▸ S1PR1 P21453 19/20 0.71

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
SCHEMBL16130299 0.94 S1PR3 (0.71) S1PR3S1PR1
SCHEMBL16130283 0.92 S1PR3 (0.73) S1PR3S1PR1
SCHEMBL12912668 0.91 S1PR3 (0.67) S1PR3S1PR1
SCHEMBL945347 0.89 S1PR1 (0.67) S1PR3S1PR1
SCHEMBL12912670 0.89 S1PR3 (0.65) S1PR3S1PR1
SCHEMBL16130257 0.89 S1PR1 (0.68) S1PR3S1PR1
SCHEMBL944429 0.87 S1PR3 (0.69) S1PR3S1PR1
SCHEMBL946399 0.87 S1PR3 (0.69) S1PR3S1PR1
SCHEMBL16130305 0.86 S1PR1 (0.68) S1PR3S1PR1
SCHEMBL16130310 0.86 S1PR3 (0.69) S1PR3S1PR1

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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