SCHEMBL6955086

SCHEMBL6955086

CCNC(Cc1ccc(OCCN2COc3cccc(C)c3C2=O)cc1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.36
PPARA Q07869 4/20 0.36
MAPT P10636 1/20 0.35
FFAR1 O14842 2/20 0.35
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ITGB1 P05556 3/20 0.33
ITGB3 P05106 3/20 0.33
ITGA5 P08648 2/20 0.33
ITGA2B P08514 2/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA4 P13612 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL6948411 0.84 PPARG (0.38) PPARGPPARAMAPTFFAR1ABCB1
SCHEMBL6952231 0.84 PPARG (0.41) PPARGPPARAMAPTPTGESALOX5
SCHEMBL6948413 0.82 PPARG (0.36) PPARGPPARAMAPTFFAR1ABCB1
SCHEMBL6948917 0.80 PPARG (0.40) PPARGPPARAITGB3ITGA2B
SCHEMBL6954155 0.80 PPARG (0.43) PPARGPPARAITGB1ITGB3ITGA2B
SCHEMBL6954989 0.74 PPARG (0.41) PPARGPPARAMAPTHRH1HRH3
SCHEMBL8796655 0.74 FFAR1 (0.55) PPARGPPARAMAPTFFAR1HRH3
SCHEMBL8302608 0.73 NPC1 (0.43) PPARGPPARAHRH1HRH3ITGB3
SCHEMBL6948555 0.72 PPARG (0.43) PPARGPPARA
SCHEMBL8796663 0.71 FFAR1 (0.36) PPARGMAPTFFAR1HRH3

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-0903343-B1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP CO LTD (JP) 2003-05-28 EP disclosed
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed