SCHEMBL30173481

SCHEMBL30173481

COc1cccc(CN2C(=O)SC(=Cc3ccc(C)cc3)C2=O)c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.73
▸ CISD1 Q9NZ45 1/20 0.58
▸ AKR1B1 P15121 1/20 0.57
▸ ENPP2 Q13822 2/20 0.56

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
SCHEMBL30173483 0.86 PPARG (0.67) PPARG
SCHEMBL12177160 0.84 PPARG (0.70) PPARGCISD1AKR1B1ENPP2
SCHEMBL12177142 0.83 PPARG (0.63) PPARGENPP2
SCHEMBL6686160 0.82 PPARG (0.77) PPARGENPP2
SCHEMBL6686162 0.82 PPARG (0.77) PPARGENPP2
SCHEMBL12177161 0.82 PPARG (0.64) PPARGCISD1AKR1B1ENPP2
SCHEMBL30173484 0.81 MAPK1 (0.70) PPARGAKR1B1
SCHEMBL12177171 0.80 PPARG (0.71) PPARGAKR1B1ENPP2
SCHEMBL12177785 0.80 PIM1 (0.56) PPARGCISD1AKR1B1ENPP2
SCHEMBL12177385 0.80 ENPP2 (0.71) PPARGENPP2

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-4142795-A1 PPAR? AGONISTS FOR TREATMENT OF KIDNEY DISEASE The Research Institute at Nationwide Children's Hospital (US) 2023-03-08 — — EP disclosed
Send feedback