SCHEMBL947598

SCHEMBL947598

CC(C)(C)OC(=O)CC1CCn2c1cc1cc(-c3noc(-c4ccc(C5CCCC5)c(C(F)(F)F)c4)n3)ccc12

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.58
S1PR5 Q9H228 3/20 0.52
S1PR4 O95977 2/20 0.52
S1PR3 Q99500 1/20 0.38

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
SCHEMBL948428 0.88 S1PR1 (0.46) S1PR1S1PR5S1PR4S1PR3
SCHEMBL946556 0.85 S1PR1 (0.79) S1PR1S1PR5S1PR4S1PR3
SCHEMBL3428745 0.84 S1PR1 (0.63) S1PR1S1PR5
SCHEMBL945264 0.82 S1PR1 (0.63) S1PR1S1PR5
SCHEMBL3750089 0.82 S1PR1 (0.56) S1PR1S1PR5
SCHEMBL3426941 0.81 S1PR1 (0.67) S1PR1S1PR5S1PR3
SCHEMBL947601 0.80 S1PR1 (0.40) S1PR1S1PR5S1PR4S1PR3
SCHEMBL946042 0.80 S1PR1 (0.58) S1PR1S1PR5
SCHEMBL3431632 0.80 S1PR1 (0.66) S1PR1S1PR5S1PR4
SCHEMBL3429272 0.80 S1PR1 (0.68) S1PR1S1PR5S1PR3

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
WO-2011005290-A1 DISUBSTITUTED OXADIAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2011-01-13 WO disclosed