SCHEMBL13809463

SCHEMBL13809463

CC(C)Oc1ccc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)cc1N

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.81
S1PR4 O95977 1/20 0.58
S1PR5 Q9H228 1/20 0.58
S1PR3 Q99500 6/20 0.46

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
SCHEMBL2565292 0.92 S1PR1 (0.82) S1PR1S1PR4S1PR5S1PR3
SCHEMBL2564743 0.91 S1PR1 (0.81) S1PR1S1PR4S1PR5S1PR3
SCHEMBL13809047 0.90 S1PR1 (0.69) S1PR1S1PR4S1PR5
SCHEMBL2565736 0.89 S1PR1 (1.00) S1PR1S1PR4S1PR5S1PR3
SCHEMBL2564216 0.89 S1PR1 (1.00) S1PR1S1PR4S1PR5S1PR3
SCHEMBL13809465 0.89 S1PR1 (0.69) S1PR1S1PR4S1PR5S1PR3
SCHEMBL2564418 0.89 S1PR1 (0.78) S1PR1S1PR4S1PR5S1PR3
SCHEMBL2561774 0.88 S1PR1 (0.76) S1PR1S1PR4S1PR5
SCHEMBL13809526 0.88 S1PR1 (0.81) S1PR1S1PR4S1PR5
SCHEMBL13809329 0.87 S1PR1 (0.70) S1PR1S1PR4S1PR5S1PR3

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-2009078983-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2009-06-25 WO disclosed