SCHEMBL2456366

SCHEMBL2456366

CCC(C(=O)O)c1ccc(-c2noc(-c3nn(CC)c4c3CCC(C)(C)C4)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.35
S1PR3 Q99500 14/20 0.35

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
SCHEMBL2474869 0.87 S1PR1 (0.38) S1PR1S1PR3
SCHEMBL2456198 0.85 S1PR1 (0.38) S1PR1S1PR3
SCHEMBL2474311 0.85 NPC1 (0.39) S1PR1S1PR3
SCHEMBL2469504 0.83 S1PR1 (0.41) S1PR1S1PR3
SCHEMBL3462747 0.82 MAPT (0.39) S1PR1S1PR3
SCHEMBL2473902 0.82 S1PR1 (0.36) S1PR1S1PR3
SCHEMBL2473761 0.82 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL2543824 0.82 S1PR1 (0.36) S1PR1S1PR3
SCHEMBL2474719 0.81 DGAT1 (0.39) S1PR1S1PR3
SCHEMBL2472413 0.81 CA9 (0.46) S1PR1

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-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 EP disclosed
WO-2011113578-A1 NEW OXADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-09-22 WO disclosed