SCHEMBL8809682

SCHEMBL8809682

CC(C)=CCn1ccc2c(CC3SC(=O)NC3=O)cccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.42
FFAR1 O14842 6/20 0.42
CA2 P00918 1/20 0.40
ICMT O60725 1/20 0.39
MAOA P21397 2/20 0.38
CISD1 Q9NZ45 2/20 0.38
MAPT P10636 2/20 0.38
KCNH2 Q12809 1/20 0.36
MAOB P27338 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MPC2 O95563 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
PPARA Q07869 3/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.35
PTPN1 P18031 1/20 0.34

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
SCHEMBL8810162 0.91 PPARG (0.44) PPARGFFAR1CA2MAOACISD1
SCHEMBL8812001 0.83 PPARG (0.41) PPARGFFAR1CA2MAOACISD1
SCHEMBL8813371 0.82 PPARG (0.41) PPARGFFAR1CA2MAOACISD1
SCHEMBL8685380 0.82 CA2 (0.43) PPARGFFAR1CA2MAOACISD1
SCHEMBL8811224 0.82 PPARG (0.47) PPARGFFAR1CA2MAPTKCNH2
SCHEMBL8685830 0.82 PPARG (0.47) PPARGFFAR1CA2MAPTKCNH2
SCHEMBL8808805 0.81 CA2 (0.37) PPARGFFAR1CA2MAOACISD1
SCHEMBL8814118 0.81 PPARG (0.45) PPARGFFAR1CA2MAOACISD1
SCHEMBL8685815 0.81 FFAR1 (0.45) PPARGFFAR1CA2ICMT
SCHEMBL8809686 0.81 HTR6 (0.45) PPARGFFAR1MAPTALDH1A1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed