SCHEMBL8809456

SCHEMBL8809456

COc1ccc(OC)c(Cn2ccc3c(CC4SC(=O)NC4=O)cccc32)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.57
PPARG P37231 8/20 0.46
FFAR1 O14842 6/20 0.46
MPC2 O95563 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
PTPN1 P18031 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EGFR P00533 1/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL8813904 0.93 CA2 (0.66) CA2PPARGFFAR1MPC2CYP2C8
SCHEMBL8811842 0.89 CA2 (0.48) CA2PPARGFFAR1MPC2CYP2C8
SCHEMBL8809709 0.87 CA2 (0.51) CA2PPARGFFAR1MPC2CYP2C8
SCHEMBL8810910 0.87 PPARG (0.52) CA2PPARGFFAR1MPC2CYP2C8
SCHEMBL8808817 0.86 PTPN1 (0.51) CA2PPARGFFAR1MPC2CYP2C8
SCHEMBL8809640 0.86 CA2 (0.49) CA2PPARGFFAR1MPC2CYP2C8
SCHEMBL8809469 0.81 EGFR (0.39) CA2KDM4EALDH1A1EGFRMAPT
SCHEMBL8188658 0.81 CA2 (0.81) CA2PPARGFFAR1MPC2CYP2C8
SCHEMBL8808808 0.80 PPARG (0.39) CA2PPARGFFAR1ALDH1A1MAPT
SCHEMBL8809686 0.79 HTR6 (0.45) PPARGFFAR1ALDH1A1MAPTMEN1

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