SCHEMBL6930644

SCHEMBL6930644

COc1cccc(C(COC(=O)c2ccccc2)COc2ccc(CC3SC(=O)NC3=O)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.69
FFAR1 O14842 11/20 0.64
MPC2 O95563 1/20 0.63
CYP2C8 P10632 1/20 0.63
CYP2C9 P11712 1/20 0.63
PPARA Q07869 1/20 0.46

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
SCHEMBL12515968 0.88 PPARG (0.71) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL10223581 0.87 PPARG (0.70) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL6931522 0.87 PPARG (0.70) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL6928457 0.87 PPARG (0.70) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL935983 0.82 PPARG (1.00) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL12517394 0.82 PPARG (0.81) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL6928337 0.82 PPARG (1.00) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL6928620 0.82 PPARG (1.00) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL6931666 0.82 PPARG (0.81) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL6929481 0.82 PPARG (1.00) PPARGFFAR1MPC2CYP2C8CYP2C9

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
WO-2011084456-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF DIABETES MELLITUS AND OTHER METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY (US) 2011-07-14 WO disclosed