SCHEMBL19559701

SCHEMBL19559701

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.51
▸ FFAR1 O14842 2/20 0.46
▸ MPC2 O95563 1/20 0.42
▸ CYP2C8 P10632 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ POLB P06746 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ MTNR1A P48039 3/20 0.34
▸ MTNR1B P49286 3/20 0.34
▸ KMT2A Q03164 1/20 0.34

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 0.91 PPARG (0.50) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL19559725 0.90 PPARG (0.40) PPARGFFAR1CYP2C9MCL1
SCHEMBL19217570 0.86 PPARG (0.68) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL19559673 0.84 PPARG (0.52) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL6928264 0.83 PPARG (0.75) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL6929632 0.83 PPARG (0.75) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL6931380 0.83 PPARG (0.75) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14213734 0.82 PPARG (0.53) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14213629 0.82 PPARG (0.53) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14213640 0.82 PPARG (0.53) 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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