SCHEMBL6948413

SCHEMBL6948413

CCC(Cc1ccc(OCCN2COc3cccc(C)c3C2=O)cc1)C(N)=S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.36
PPARA Q07869 6/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 4/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
FFAR1 O14842 3/20 0.32
PPARD Q03181 1/20 0.31
ADAM17 P78536 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
ABCB1 P08183 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
PLA2G1B P04054 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATG4B Q9Y4P1 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
SCHEMBL6952231 0.82 PPARG (0.41) PPARGPPARAPTGESALOX5MAPT
SCHEMBL6948411 0.82 PPARG (0.38) PPARGPPARAPTGESALOX5MAPT
SCHEMBL6955086 0.82 PPARG (0.36) PPARGPPARAPTGESALOX5MAPT
SCHEMBL6956839 0.81 PPARA (0.34) PPARGPPARAMAPTALDH1A1PPARD
SCHEMBL8796655 0.75 FFAR1 (0.55) PPARGPPARAMAPTTP53ALDH1A1
SCHEMBL6953973 0.75 HPGD (0.35) PPARGPPARAMAPTTP53PPARD
SCHEMBL8300709 0.73 DRD3 (0.41) PPARGPPARA
SCHEMBL8796663 0.73 FFAR1 (0.36) PPARGMAPTTP53ALDH1A1MEN1
Hydrochloric Acid SCHEMBL6944979 0.70 PPARG (0.41) PPARGPPARAPPARD
SCHEMBL8980622 0.70 PARP1 (0.43) MAPTTP53ALDH1A1LMNATDP1

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