SCHEMBL28027684

SCHEMBL28027684

C=CC(c1ccc(Cl)cc1)S(=O)(=O)Cc1cccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.55
S1PR3 Q99500 10/20 0.55

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
SCHEMBL876655 0.84 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL876406 0.76 S1PR1 (0.84) S1PR1S1PR3
SCHEMBL28027720 0.75 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL877397 0.73 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL872956 0.72 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL876114 0.71 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL461385 0.70 S1PR1 (0.72) S1PR1S1PR3
SCHEMBL876676 0.70 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL877308 0.70 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL872521 0.69 S1PR1 (1.00) S1PR1S1PR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103237795-B Substituted oxadiazole compounds and their use as S1P1Use of agonists BRISTOL-MYERS SQUIBB CO. (US) 2015-10-21 CN claimed
CN-103237795-B Substituted oxadiazole compounds and their use as S1P1Use of agonists BRISTOL-MYERS SQUIBB CO. (US) 2015-10-21 CN disclosed