SCHEMBL4270153

SCHEMBL4270153

O=C(O)C1CN(CN2CC(C(=O)O)C2)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 17/20 0.46
S1PR1 P21453 12/20 0.46
S1PR3 Q99500 4/20 0.40
S1PR4 O95977 1/20 0.40
CYP2C19 P33261 1/20 0.38
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL1362777 0.79
SCHEMBL10178067 0.79
SCHEMBL3415496 0.79
Hydrochloric Acid SCHEMBL28769763 0.77 S1PR5 (0.47) S1PR5S1PR1S1PR3S1PR4
SCHEMBL884034 0.77 S1PR5 (0.42) S1PR5S1PR1S1PR3S1PR4
SCHEMBL884032 0.77 S1PR5 (0.42) S1PR5S1PR1S1PR3S1PR4
SCHEMBL4678458 0.75 PLG (0.45) S1PR5S1PR1PLGPLATLMNA
SCHEMBL19897423 0.75 S1PR5 (0.41) S1PR5S1PR1S1PR3S1PR4
SCHEMBL1362081 0.75 S1PR5 (0.41) S1PR5S1PR1S1PR3S1PR4
SCHEMBL11917621 0.75 SMN1; SMN2 (0.51) S1PR5S1PR1S1PR3S1PR4

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-7605269-B2 Thiophene derivatives as Sphingosine-1-phosphate-1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2009-10-20 US claimed