SCHEMBL6948411

SCHEMBL6948411

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.38
PPARA Q07869 9/20 0.38
MAPT P10636 3/20 0.34
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
FFAR1 O14842 3/20 0.33
PPARD Q03181 2/20 0.32
TP53 P04637 1/20 0.32
ABCB1 P08183 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 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
SCHEMBL6955086 0.84 PPARG (0.36) PPARGPPARAMAPTPTGESALOX5
SCHEMBL6952231 0.84 PPARG (0.41) PPARGPPARAMAPTPTGESALOX5
SCHEMBL6948413 0.82 PPARG (0.36) PPARGPPARAMAPTPTGESALOX5
SCHEMBL6956830 0.82 PPARG (0.34) PPARGPPARAMAPTPPARDALDH1A1
SCHEMBL6952576 0.80 PPARG (0.45) PPARGPPARAPPARD
SCHEMBL6953968 0.76 PPARG (0.35) PPARGPPARAMAPTPPARDTP53
SCHEMBL6948887 0.74 PPARG (0.41) PPARGPPARAMAPT
SCHEMBL8796655 0.74 FFAR1 (0.55) PPARGPPARAMAPTFFAR1TP53
SCHEMBL8301557 0.73 NPC1 (0.43) PPARGPPARAPPARDALDH1A1MEN1
SCHEMBL6948555 0.72 PPARG (0.43) PPARGPPARAPPARDRAB9ATDP1

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