SCHEMBL19559664

SCHEMBL19559664

CCC(=O)OCOC(COc1ccc(CC2SC(=O)N(N)C2=O)cc1)c1cccc(O)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 10/20 0.42
▸ MCL1 Q07820 1/20 0.36
▸ FFAR1 O14842 7/20 0.35
▸ MPC2 O95563 1/20 0.32
▸ CYP2C8 P10632 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ PPARA Q07869 1/20 0.32

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
SCHEMBL19559787 0.82 PPARG (0.50) PPARGMCL1FFAR1MPC2CYP2C8
SCHEMBL19559681 0.78 PPARG (0.41) PPARGMCL1FFAR1
SCHEMBL19559701 0.76 PPARG (0.51) PPARGMCL1FFAR1MPC2CYP2C8
SCHEMBL19559725 0.76 PPARG (0.40) PPARGMCL1FFAR1CYP2C9
SCHEMBL6930420 0.75 PPARG (0.54) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL15811536 0.75 PPARG (0.69) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14213637 0.75 PPARG (0.39) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14299373 0.74 PPARG (0.49) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14213709 0.74 PPARG (0.38) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL17540550 0.73 PPARG (0.37) 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-2513070-B1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES CIRIUS THERAPEUTICS INC (US) 2017-11-08 — — EP disclosed
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