SCHEMBL19217896

SCHEMBL19217896

CCC(OC(COc1ccc(CC2SC(O)NC2=O)cc1)c1cccc(Cl)c1)OP(=O)(OC)OC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.40
FFAR1 O14842 11/20 0.37
MPC2 O95563 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADRB2 P07550 4/20 0.32
ADRB3 P13945 4/20 0.32
PPARA Q07869 1/20 0.31
GLA P06280 1/20 0.31
ADRB1 P08588 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
SCHEMBL6928222 0.88 PPARG (0.53) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14213647 0.83 PPARG (0.38) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL19217722 0.82 PPARG (0.37) PPARGFFAR1ADRB2ADRB3ADRB1
SCHEMBL16491949 0.81 PPARG (0.51) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL6930345 0.80 PPARG (0.58) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL16489282 0.76 PPARG (0.36) PPARGFFAR1ADRB2ADRB3
SCHEMBL16311112 0.75 PPARG (0.56) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL19217568 0.75 PPARG (0.48) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL19217710 0.74 PPARG (0.53) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14213653 0.73 PPARG (0.40) 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
EP-3202401-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Octeta Therapeutics, LLC (US) 2017-08-09 EP disclosed