SCHEMBL6693675

SCHEMBL6693675

CCCC(C)(Oc1ccc(CCN(C#N)Cc2ccc(-c3coc(C4CC4)n3)cc2)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.43
S1PR3 Q99500 7/20 0.43
PPARG P37231 6/20 0.37
PPARA Q07869 6/20 0.37
PPARD Q03181 2/20 0.37
DAGLB Q8NCG7 2/20 0.32
DAGLA Q9Y4D2 2/20 0.32
DDHD2 O94830 1/20 0.31

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
SCHEMBL4575948 0.85 S1PR1 (0.41) S1PR1S1PR3PPARGPPARAPPARD
SCHEMBL4575973 0.70 S1PR1 (0.41) S1PR1S1PR3PPARGPPARAPPARD
SCHEMBL4575979 0.70 S1PR1 (0.41) S1PR1S1PR3PPARGPPARAPPARD
SCHEMBL4575562 0.66 PPARA (0.41) S1PR1S1PR3PPARGPPARAPPARD
SCHEMBL4576077 0.66 S1PR1 (0.43) S1PR1S1PR3PPARGPPARAPPARD
SCHEMBL16202249 0.65 S1PR1 (0.79) S1PR1S1PR3
Hydrochloric Acid SCHEMBL16143269 0.65 S1PR1 (0.78) S1PR1S1PR3
SCHEMBL14555386 0.64 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL14555317 0.64 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL7253896 0.63 PPARA (0.49) S1PR1S1PR3PPARGPPARAPPARD

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
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 WO disclosed