SCHEMBL945264

SCHEMBL945264

COc1ccc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)OC(C)(C)C)no2)cc1F

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.63
S1PR5 Q9H228 1/20 0.52
PLAT P00750 1/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MIF P14174 1/20 0.39
TPH1 P17752 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
SCHEMBL3428464 0.88 S1PR1 (0.81) S1PR1S1PR5
SCHEMBL3426941 0.87 S1PR1 (0.67) S1PR1S1PR5
SCHEMBL946556 0.85 S1PR1 (0.79) S1PR1S1PR5
SCHEMBL3750089 0.85 S1PR1 (0.56) S1PR1S1PR5MAPTTP53POLB
SCHEMBL3752419 0.84 S1PR1 (0.82) S1PR1S1PR5
SCHEMBL3428745 0.84 S1PR1 (0.63) S1PR1S1PR5PLAT
SCHEMBL946042 0.83 S1PR1 (0.58) S1PR1S1PR5HDAC1HDAC8HDAC6
SCHEMBL3429272 0.83 S1PR1 (0.68) S1PR1S1PR5
SCHEMBL3430740 0.83 S1PR1 (0.82) S1PR1S1PR5
SCHEMBL947598 0.82 S1PR1 (0.58) S1PR1S1PR5

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