SCHEMBL16649451

SCHEMBL16649451

O=C(O)O[C@H]1CCCN(CC(O)c2ccc(-c3noc(COCC4(c5ccc(Cl)cc5)CC4)n3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.49
S1PR3 Q99500 12/20 0.41
S1PR4 O95977 2/20 0.41
S1PR5 Q9H228 2/20 0.41
CYP2C8 P10632 1/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL16649453 0.98 S1PR1 (0.51) S1PR1S1PR3S1PR4S1PR5CYP2C8
SCHEMBL459629 0.90 S1PR1 (0.58) S1PR1S1PR3S1PR4S1PR5LMNA
SCHEMBL459976 0.88 S1PR1 (0.59) S1PR1S1PR3S1PR4S1PR5CYP2C8
SCHEMBL16649017 0.83 S1PR1 (0.65) S1PR1S1PR4S1PR5
SCHEMBL16649221 0.82 S1PR1 (0.47) S1PR1S1PR3S1PR4S1PR5CYP2C8
SCHEMBL16649300 0.81 S1PR1 (0.68) S1PR1S1PR3S1PR4S1PR5
SCHEMBL16649369 0.80 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5CYP2C8
SCHEMBL16354018 0.78 S1PR1 (0.47) S1PR1S1PR3S1PR4S1PR5CYP2C8
SCHEMBL16354038 0.76 TP53 (0.47) S1PR1S1PR3S1PR4S1PR5CYP2C8
SCHEMBL461235 0.75 S1PR1 (0.47) S1PR1S1PR3LMNA

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-2595969-B1 Substituted 3-phenyl-1,2,4-oxadiazole compounds BRISTOL MYERS SQUIBB CO (US) 2015-04-22 EP claimed