SCHEMBL22829501

SCHEMBL22829501

CC(=O)Oc1ccc(OC/C=C(/c2ccc(Cl)cc2)c2ccc(C#CCN3CCOCC3)cc2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
PPARD Q03181 4/20 0.44
LMNA P02545 3/20 0.40
MAPK1 P28482 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
MMP13 P45452 1/20 0.37
RAB9A P51151 1/20 0.36
MAPK14 Q16539 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL16553795 0.94 PPARD (0.45) KDM4EALDH1A1TDP1PPARDLMNA
SCHEMBL28680141 0.92 PPARD (0.45) KDM4EALDH1A1TDP1PPARDLMNA
SCHEMBL28655199 0.92 KDM4E (0.44) KDM4EALDH1A1TDP1PPARDLMNA
SCHEMBL16553576 0.92 MAPK14 (0.44) KDM4EALDH1A1TDP1PPARDLMNA
SCHEMBL1744826 0.91 PPARD (0.55) KDM4EALDH1A1TDP1PPARDPPARG
SCHEMBL1744825 0.91 PPARD (0.55) KDM4EALDH1A1TDP1PPARDPPARG
SCHEMBL1744830 0.91 PPARD (0.55) KDM4EALDH1A1TDP1PPARDPPARG
SCHEMBL16552762 0.90 PPARD (0.54) KDM4EALDH1A1TDP1PPARDPPARG
SCHEMBL16552765 0.90 PPARD (0.54) KDM4EALDH1A1TDP1PPARDPPARG
SCHEMBL16552764 0.90 PPARD (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3756661-A1 USE OF A PPAR-DELTA AGONIST FOR TREATING MUSCLE ATROPHY vTv Therapeutics LLC (US) 2020-12-30 EP disclosed