SCHEMBL30007517

SCHEMBL30007517

COC(CCc1cc(C)c(OC(C)(C)C(=O)O)c(C)c1)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.55
PPARD Q03181 15/20 0.55
PPARG P37231 14/20 0.55
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL30007652 0.87 PPARD (0.56) PPARAPPARDPPARG
SCHEMBL2030587 0.87 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL3513353 0.86 PPARD (0.57) PPARAPPARDPPARG
SCHEMBL21017562 0.78 PPARA (0.52) PPARAPPARDPPARGCYP1A2CYP2C9
SCHEMBL21017736 0.78 PPARA (0.52) PPARAPPARDPPARGCYP1A2CYP2C9
SCHEMBL21016849 0.78 PPARA (0.52) PPARAPPARDPPARGCYP1A2CYP2C9
SCHEMBL16472647 0.78 PPARA (0.45) PPARAPPARDPPARG
SCHEMBL1934554 0.77 PPARA (0.58) PPARAPPARDPPARGCYP1A2CYP2C9
SCHEMBL30007594 0.77 PPARD (0.47) PPARAPPARDPPARG
SCHEMBL2029585 0.77 PPARA (0.49) PPARAPPARDPPARGCYP1A2CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4337184-A1 PPAR-AGONISTS FOR USE IN THE TREATMENT OF LIVER FAILURE Genfit (FR) 2024-03-20 EP disclosed
EP-4337185-A1 ELAFIBRANOR DERIVATIVES AGONISTS OF PPAR FOR USE IN THE TREATMENT OF SEPSIS Genfit (FR) 2024-03-20 EP disclosed
WO-2022238445-A1 PPAR-AGONISTS FOR USE IN THE TREATMENT OF LIVER FAILURE GENFIT (FR) 2022-11-17 WO disclosed
WO-2022238448-A1 ELAFIBRANOR DERIVATIVES AGONISTS OF PPAR FOR USE IN THE TREATMENT OF SEPSIS GENFIT (FR) 2022-11-17 WO disclosed