SCHEMBL2565736

SCHEMBL2565736

CC(C)Oc1ccc(-c2nc(-c3ccc4[nH]c5c(c4c3)CC[C@H]5CC(=O)O)no2)cc1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 1.00
S1PR4 O95977 1/20 0.64
S1PR5 Q9H228 1/20 0.64
S1PR3 Q99500 7/20 0.59
KCNH2 Q12809 2/20 0.54

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
SCHEMBL2564216 1.00 S1PR1 (1.00) S1PR1S1PR4S1PR5S1PR3KCNH2
SCHEMBL2568350 0.92 S1PR1 (1.00) S1PR1S1PR4S1PR5S1PR3
SCHEMBL2562411 0.91 S1PR1 (0.83) S1PR1S1PR4S1PR5S1PR3
SCHEMBL2565701 0.90 S1PR1 (0.86) S1PR1S1PR4S1PR5S1PR3
SCHEMBL2565292 0.90 S1PR1 (0.82) S1PR1S1PR4S1PR5S1PR3
SCHEMBL13809463 0.89 S1PR1 (0.81) S1PR1S1PR4S1PR5S1PR3
SCHEMBL2564743 0.89 S1PR1 (0.81) S1PR1S1PR4S1PR5S1PR3
SCHEMBL2567134 0.89 S1PR1 (0.83) S1PR1S1PR4S1PR5S1PR3
SCHEMBL2567957 0.89 S1PR1 (0.83) S1PR1S1PR4S1PR5S1PR3
SCHEMBL2565675 0.88 S1PR1 (1.00) 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
EP-2222668-B1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARM INC (US) 2011-11-02 EP claimed