SCHEMBL2720673

SCHEMBL2720673

Cc1cc(OCCCCC(=O)OC(=O)CCCOc2ccc(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)c(C)c2)ccc1-c1noc(-c2ccc(OC(C)C)c(Cl)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.63
S1PR3 Q99500 12/20 0.63
S1PR5 Q9H228 10/20 0.63
MAP4K4 O95819 1/20 0.50
PRKCD Q05655 1/20 0.50
MINK1 Q8N4C8 1/20 0.50

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
SCHEMBL2720670 0.93 S1PR1 (0.73) S1PR1S1PR3S1PR5
SCHEMBL2134091 0.93 S1PR1 (0.62) S1PR1S1PR3S1PR5MAP4K4PRKCD
SCHEMBL2133731 0.93 S1PR1 (0.74) S1PR1S1PR3S1PR5
SCHEMBL2133183 0.92 S1PR1 (0.63) S1PR1S1PR3S1PR5MAP4K4PRKCD
SCHEMBL2134302 0.92 S1PR1 (0.75) S1PR1S1PR3S1PR5
SCHEMBL2133169 0.87 S1PR1 (0.60) S1PR1S1PR3S1PR5MAP4K4PRKCD
SCHEMBL2134521 0.86 S1PR1 (0.59) S1PR1S1PR3S1PR5MAP4K4PRKCD
SCHEMBL2135228 0.85 S1PR1 (0.55) S1PR1S1PR3S1PR5MAP4K4PRKCD
SCHEMBL2132749 0.85 S1PR1 (0.72) S1PR1S1PR3S1PR5MAP4K4PRKCD
SCHEMBL2134509 0.85 S1PR1 (0.59) S1PR1S1PR3S1PR5MAP4K4PRKCD

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-2445892-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-02 EP disclosed
WO-2010148650-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-29 WO disclosed