SCHEMBL5176240

SCHEMBL5176240

COc1cc(CC(C)C)ccc1COc1ccc2c(c1)CCC(CN1CC[C@@H](OC(N)=O)C1)=C2C

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.74
S1PR3 Q99500 8/20 0.74
S1PR4 O95977 1/20 0.60
S1PR5 Q9H228 1/20 0.60

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
SCHEMBL451912 0.88 S1PR1 (0.78) S1PR1S1PR3S1PR4S1PR5
SCHEMBL16143790 0.88 S1PR1 (0.84) S1PR1S1PR3S1PR4S1PR5
SCHEMBL451114 0.87 S1PR1 (0.76) S1PR1S1PR3S1PR4S1PR5
SCHEMBL448231 0.87 S1PR1 (0.76) S1PR1S1PR3S1PR4S1PR5
SCHEMBL453881 0.87 S1PR1 (0.78) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1867767 0.87 S1PR1 (0.88) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4963049 0.86 S1PR1 (0.77) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4961705 0.86 S1PR1 (0.77) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4964985 0.86 S1PR1 (0.77) S1PR1S1PR3S1PR4S1PR5
SCHEMBL447657 0.86 S1PR1 (0.74) S1PR1S1PR3S1PR4S1PR5

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
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 EP disclosed