SCHEMBL16130334

SCHEMBL16130334

CCC(C)/N=C1\S/C(=C\c2ccc3c(c2)OCCO3)C(=O)N1c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 20/20 0.67
▸ S1PR3 Q99500 20/20 0.67

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
SCHEMBL16130331 0.94 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL944429 0.90 S1PR3 (0.69) S1PR1S1PR3
SCHEMBL12912697 0.90 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL12912696 0.88 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL16130328 0.85 S1PR1 (0.66) S1PR1S1PR3
SCHEMBL944206 0.84 S1PR3 (0.69) S1PR1S1PR3
SCHEMBL16130307 0.83 S1PR1 (0.65) S1PR1S1PR3
SCHEMBL16130240 0.82 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL16130241 0.82 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL17302145 0.82 MEN1 (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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