SCHEMBL2458366

SCHEMBL2458366

Cc1cc(-c2noc(-c3nn(C)c4c3CCC(C)(C)C4)n2)cc(C)c1CCN1CCC(C)(C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.38
S1PR3 Q99500 13/20 0.38
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL2458278 0.92 S1PR1 (0.40) S1PR1S1PR3S1PR5
SCHEMBL2472387 0.91 S1PR1 (0.40) S1PR1S1PR3S1PR5
SCHEMBL2456415 0.89 S1PR1 (0.37) S1PR1S1PR3S1PR5
SCHEMBL2468369 0.89 S1PR1 (0.35) S1PR1S1PR3
SCHEMBL2456409 0.88 S1PR1 (0.41) S1PR1S1PR3S1PR5
SCHEMBL6122219 0.88 S1PR1 (0.41) S1PR1S1PR3S1PR5
SCHEMBL6123033 0.88 S1PR1 (0.38) S1PR1S1PR3S1PR5
SCHEMBL2472864 0.88 S1PR1 (0.34) S1PR1S1PR3
SCHEMBL2456412 0.87 S1PR1 (0.41) S1PR1S1PR3S1PR5
SCHEMBL2461691 0.87 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011113578-A1 NEW OXADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-09-22 WO claimed
EP-2366702-A1 New oxadiazole derivatives Almirall, S.A. (ES) 2011-09-21 EP claimed
EP-2366702-A1 New oxadiazole derivatives Almirall, S.A. (ES) 2011-09-21 EP disclosed