SCHEMBL2832634

SCHEMBL2832634

Cc1cc(-c2noc(-c3cncc4c3CCC(C)(C)C4)n2)cc(C)c1CCC(=O)OC(=O)CCc1c(C)cc(-c2noc(-c3cnc(C4CC4)c4c3CCC(C)(C)C4)n2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.39
S1PR3 Q99500 13/20 0.39
S1PR5 Q9H228 1/20 0.34
BDKRB1 P46663 1/20 0.30
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL2832631 0.93 S1PR1 (0.43) S1PR1S1PR3S1PR5
SCHEMBL1336504 0.87 S1PR1 (0.41) S1PR1S1PR3S1PR5BDKRB1
SCHEMBL1336574 0.87 S1PR1 (0.47) S1PR1S1PR3S1PR5
SCHEMBL13263433 0.83 S1PR1 (0.40) S1PR1S1PR3S1PR5
SCHEMBL1337948 0.83 S1PR1 (0.40) S1PR1S1PR3S1PR5BDKRB1
SCHEMBL1337953 0.82 S1PR1 (0.46) S1PR1S1PR3S1PR5
SCHEMBL1336486 0.82 S1PR1 (0.41) S1PR1S1PR3S1PR5
SCHEMBL1338376 0.82 S1PR1 (0.38) S1PR1S1PR3S1PR5BDKRB1
SCHEMBL1337688 0.81 S1PR1 (0.41) S1PR1S1PR3S1PR5
SCHEMBL1338057 0.80 S1PR1 (0.46) S1PR1S1PR3S1PR5

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-2010081692-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS ALMIRALL, S.A. (ES) 2010-07-22 WO disclosed