SCHEMBL28655199

SCHEMBL28655199

CC(=O)OOc1ccc(OCC=C(c2ccc(Cl)cc2)c2ccc(C#CCN3CCOCC3)cc2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
PPARD Q03181 4/20 0.43
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
SLC6A4 P31645 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
MMP13 P45452 1/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 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
SCHEMBL28662240 0.92 PPARD (0.43) KDM4EALDH1A1TDP1PPARDPPARG
SCHEMBL22829501 0.92 KDM4E (0.45) KDM4EALDH1A1TDP1PPARDPPARG
SCHEMBL28660037 0.90 PPARD (0.49) PPARDPPARGPPARASLC6A4HRH3
SCHEMBL1744826 0.89 PPARD (0.55) KDM4EALDH1A1TDP1PPARDPPARG
SCHEMBL1744825 0.89 PPARD (0.55) KDM4EALDH1A1TDP1PPARDPPARG
SCHEMBL1744830 0.89 PPARD (0.55) KDM4EALDH1A1TDP1PPARDPPARG
SCHEMBL16552762 0.88 PPARD (0.54) KDM4EALDH1A1TDP1PPARDPPARG
SCHEMBL16552764 0.88 PPARD (0.54) KDM4EALDH1A1TDP1PPARDPPARG
SCHEMBL16552765 0.88 PPARD (0.54) KDM4EALDH1A1TDP1PPARDPPARG
SCHEMBL16552763 0.88 PPARD (0.47) KDM4EALDH1A1TDP1PPARDPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114727976-A Use of PPAR-delta agonists in the treatment of renal disease 雷内奥制药公司 2022-07-08 CN disclosed
CN-113747891-A Use of PPAR delta agonists in the treatment of Fatty Acid Oxidation Disorders (FAOD) 雷内奥制药公司 2021-12-03 CN disclosed
CN-113710683-A Use of PPAR-delta agonists in the treatment of mitochondrial myopathy 雷内奥制药公司 2021-11-26 CN disclosed