Sugi Predict

Sugi Predict / Compounds / SCHEMBL2132579

SCHEMBL2132579

SCHEMBL2132579

CCC(Cc1ccc(-c2noc(-c3ccc(OC(C)C)c(Cl)c3)n2)c2[nH]ccc12)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 20/20 0.63
▸ S1PR3 Q99500 2/20 0.53
▸ S1PR5 Q9H228 1/20 0.53

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
SCHEMBL2120348 0.86 S1PR1 (0.78) S1PR1S1PR3S1PR5
SCHEMBL2120596 0.86 S1PR1 (0.80) S1PR1S1PR3S1PR5
SCHEMBL2120458 0.86 S1PR1 (0.60) S1PR1S1PR3S1PR5
SCHEMBL2122569 0.84 S1PR1 (0.65) S1PR1S1PR3S1PR5
SCHEMBL2124176 0.83 S1PR1 (0.68) S1PR1S1PR3S1PR5
SCHEMBL2132588 0.83 S1PR1 (0.61) S1PR1S1PR3S1PR5
SCHEMBL10112449 0.82 S1PR1 (0.62) S1PR1S1PR3S1PR5
SCHEMBL2122605 0.82 S1PR1 (0.72) S1PR1S1PR3S1PR5
SCHEMBL2128990 0.82 S1PR1 (0.71) S1PR1S1PR3S1PR5
SCHEMBL2129294 0.81 S1PR1 (0.58) S1PR1S1PR3S1PR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443111-A1 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-04-25 — — EP disclosed
WO-2010145203-A1 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-23 — — WO disclosed