SCHEMBL3971815

SCHEMBL3971815

CC(C)(C)OC(=O)NC(O)CCc1cccc(OCCCC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.43
CTSK P43235 3/20 0.43
CTSS P25774 1/20 0.43
PTGDR Q13258 1/20 0.43
HPGD P15428 1/20 0.41
PTGIR P43119 1/20 0.41
FFAR1 O14842 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
PTGFR P43088 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ACE P12821 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP13 P45452 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL3971968 0.88 MAPK1 (0.45) CTSKCTSSPPARGPPARAMMP13
SCHEMBL4572150 0.82 MTNR1A (0.49) PTGDR2PTGDRHPGDPPARGPPARA
SCHEMBL27730329 0.79 CTSK (0.62) CTSKCTSSPPARGPPARAACE
SCHEMBL22042132 0.79 CTSK (0.62) CTSKCTSSPPARGPPARAACE
SCHEMBL28108976 0.79 CTSK (0.62) CTSKCTSSPPARGPPARAACE
SCHEMBL2754724 0.78 CTSK (0.55) CTSKCTSSACE
SCHEMBL22526731 0.77 ATM (0.40) PTGDR2CTSKCTSSPTGIRFFAR1
SCHEMBL30169219 0.77 ATM (0.40) PTGDR2CTSKCTSSPTGIRFFAR1
SCHEMBL22526826 0.77 PPARA (0.42) CTSKCTSSPTGIRPTGFRPPARG
SCHEMBL30169110 0.77 CYSLTR2 (0.41) CTSKCTSSPTGIRPPARGPPARA

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-2091955-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT Acucela, Inc. (US) 2009-08-26 EP disclosed
WO-2009045479-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2009-04-09 WO disclosed