SCHEMBL19559657

SCHEMBL19559657

NN1C(=O)SC(Cc2ccc(OCC(=O)c3ccccc3)cc2)C1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.64
▸ MPC2 O95563 2/20 0.49
▸ CYP2C8 P10632 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PTPN1 P18031 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ MCL1 Q07820 1/20 0.39

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
SCHEMBL19559661 0.89 PPARG (0.53) PPARGMPC2CYP2C8CYP2C9L3MBTL1
SCHEMBL19559640 0.87 PPARG (0.52) PPARGMPC2CYP2C8CYP2C9KMT2A
SCHEMBL19559648 0.87 PPARG (0.67) PPARGMPC2CYP2C8CYP2C9KMT2A
SCHEMBL19217851 0.84 SMN1; SMN2 (0.52) PPARGMPC2CYP2C8CYP2C9KMT2A
SCHEMBL19559710 0.80 NPC1 (0.47) PPARGKMT2AMEN1NPC1MAPT
SCHEMBL19559726 0.79 PPARG (0.49) PPARGMAPTKDM4EMCL1LTA4H
SCHEMBL18541499 0.78 PPARG (1.00) PPARGMPC2CYP2C8CYP2C9KMT2A
SCHEMBL935826 0.78 PPARG (1.00) PPARGMPC2CYP2C8CYP2C9KMT2A
SCHEMBL19828831 0.78 PPARG (1.00) PPARGMPC2CYP2C8CYP2C9KMT2A
SCHEMBL8282085 0.77 PPARG (0.66) PPARGMPC2CYP2C8CYP2C9KMT2A

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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