SCHEMBL19559673

SCHEMBL19559673

COc1cccc([C@@H](COc2ccc(CC3SC(=O)N(N)C3=O)cc2)N=O)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.52
▸ FFAR1 O14842 4/20 0.43
▸ MPC2 O95563 1/20 0.41
▸ CYP2C8 P10632 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CASR P41180 1/20 0.36
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ MAOB P27338 2/20 0.34
▸ HSD17B3 P37058 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MCL1 Q07820 1/20 0.33

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
SCHEMBL19559693 0.89 PPARG (0.41) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL19559659 0.89 PPARG (0.41) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL19559778 0.88 PPARG (0.38) PPARGFFAR1CYP2C9MAOBMCL1
SCHEMBL19217570 0.88 PPARG (0.68) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL19559754 0.87 FFAR1 (0.41) PPARGFFAR1CYP2C9MCL1
SCHEMBL19559692 0.87 FFAR1 (0.41) PPARGFFAR1CYP2C9MCL1
SCHEMBL19559701 0.84 PPARG (0.51) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL19559694 0.83 PPARG (0.38) PPARGFFAR1HCRTR1HCRTR2ALDH1A1
SCHEMBL19559735 0.83 PPARG (0.38) PPARGFFAR1HCRTR1HCRTR2ALDH1A1
SCHEMBL19559787 0.82 PPARG (0.50) 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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