SCHEMBL30007594

SCHEMBL30007594

COC(CCc1cc(C)c(OC(C)(C)C(=O)[O-])c(C)c1)c1ccc(OC(F)(F)F)cc1.[Na+]

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG known ✓ P37231 12/20 0.47
PPARD Q03181 15/20 0.47
PPARA Q07869 14/20 0.47
FFAR4 Q5NUL3 1/20 0.36
PDE2A O00408 3/20 0.35
MRGPRX4 Q96LA9 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
SCHEMBL3513353 0.91 PPARD (0.57) PPARDPPARAPPARG
SCHEMBL30007652 0.79 PPARD (0.56) PPARDPPARAPPARG
SCHEMBL3511782 0.78 PPARD (0.54) PPARDPPARAPPARG
SCHEMBL30007517 0.77 PPARA (0.55) PPARDPPARAPPARG
SCHEMBL3509000 0.76 PPARD (0.49) PPARDPPARAPPARG
SCHEMBL3512170 0.74 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL1935430 0.69 PPARA (0.55) PPARDPPARAPPARG
SCHEMBL3512485 0.68 PPARD (0.45) PPARDPPARAPPARG
SCHEMBL2153233 0.67 PPARA (0.45) PPARDPPARAPPARG
SCHEMBL3510967 0.67 PPARA (0.51) PPARDPPARAPPARG

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