SCHEMBL22326271

SCHEMBL22326271

COC(=O)Cc1cccc(OCCOCCOCC(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.48
LMNA P02545 1/20 0.47
KDM4E B2RXH2 4/20 0.46
SLC7A5 Q01650 1/20 0.46
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NR1H3 Q13133 1/20 0.41
CTBP2 P56545 1/20 0.41

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
SCHEMBL22326247 0.85 KDM4E (0.43) PLA2G4BLMNAKDM4ESLC7A5ALDH1A1
SCHEMBL3334714 0.84 ALDH1A1 (0.51) PLA2G4BKDM4ESLC7A5ALDH1A1GAA
SCHEMBL25081996 0.82 PLA2G4B (0.58) PLA2G4BKDM4ECYP4F2CYP4A11NR1H3
SCHEMBL25081995 0.82 PLA2G4B (0.58) PLA2G4BKDM4ECYP4F2CYP4A11NR1H3
SCHEMBL25081997 0.82 PLA2G4B (0.58) PLA2G4BKDM4ECYP4F2CYP4A11NR1H3
SCHEMBL30278808 0.82 PLA2G4B (0.58) PLA2G4BKDM4ECYP4F2CYP4A11NR1H3
SCHEMBL28588436 0.81 KMT2A (0.55) PLA2G4BLMNAKDM4ESLC7A5ALDH1A1
SCHEMBL22326323 0.81 PLA2G4B (0.55) PLA2G4BKDM4ESLC7A5PPARAPPARG
SCHEMBL334386 0.80 SLC7A5 (0.48) PLA2G4BKDM4ESLC7A5ALDH1A1GAA
SCHEMBL2767522 0.80 SLC7A5 (0.48) PLA2G4BKDM4ESLC7A5ALDH1A1GAA

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
WO-2020162725-A1 TARGET PROTEIN EED DEGRADATION-INDUCING DEGRADUCER, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES RELATED TO EED, EZH2, OR PRC2, COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2020-08-13 WO disclosed