SCHEMBL948510

SCHEMBL948510

O=C(O)CC1CCc2cc3ccc(-c4noc(-c5cc(Cl)cc(OC(F)(F)F)c5)n4)cc3n21

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.49
S1PR5 Q9H228 3/20 0.49
S1PR4 O95977 2/20 0.46
USP30 Q70CQ3 1/20 0.41
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL3428589 0.91 S1PR1 (0.50) S1PR1S1PR5S1PR4
SCHEMBL3431435 0.89 S1PR1 (0.48) S1PR1S1PR5S1PR4USP30
SCHEMBL949281 0.89 S1PR1 (0.64) S1PR1S1PR5S1PR4FFAR4
SCHEMBL3429408 0.87 S1PR1 (0.46) S1PR1S1PR5S1PR4
SCHEMBL3429957 0.86 S1PR1 (0.46) S1PR1S1PR5S1PR4
SCHEMBL3426893 0.84 S1PR1 (0.42) S1PR1S1PR5S1PR4
SCHEMBL947699 0.83 S1PR1 (0.59) S1PR1S1PR5S1PR4
SCHEMBL3431635 0.82 S1PR1 (0.43) S1PR1S1PR5S1PR4
SCHEMBL3423106 0.81 S1PR1 (0.64) S1PR1S1PR5S1PR4
SCHEMBL946682 0.80 S1PR1 (0.44) S1PR1S1PR5S1PR4

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