SCHEMBL22326323

SCHEMBL22326323

COC(=O)Cc1cccc(OCCCCCCCC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.55
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
FABP1 P07148 1/20 0.48
CYSLTR2 Q9NS75 3/20 0.48
CYSLTR1 Q9Y271 3/20 0.48
POLB P06746 1/20 0.47
SLC7A5 Q01650 1/20 0.47
HDAC1 Q13547 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
FFAR1 O14842 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL9402581 0.86 PLA2G4B (0.64) PLA2G4BCNR1CNR2PPARGPPARA
SCHEMBL22326304 0.85 PLA2G4B (0.48) PLA2G4BCNR1CNR2KDM4EALDH1A1
SCHEMBL3467446 0.84 PLA2G4B (0.57) PLA2G4BKDM4EALDH1A1GAAPOLB
SCHEMBL2767522 0.83 SLC7A5 (0.48) PLA2G4BKDM4EALDH1A1GAAPOLB
SCHEMBL7804122 0.83 PLA2G4B (0.60) PLA2G4BKDM4EALDH1A1GAAPPARG
SCHEMBL25495951 0.83 CHRM2 (0.49) PLA2G4BKDM4EALDH1A1GAAPOLB
SCHEMBL4147607 0.83 KDM4E (0.53) PLA2G4BKDM4EALDH1A1GAAPOLB
SCHEMBL3984588 0.82 SLC7A5 (0.50) PLA2G4BKDM4EALDH1A1GAAPOLB
SCHEMBL3868045 0.82 SLC7A5 (0.47) PLA2G4BKDM4EALDH1A1GAAPOLB
SCHEMBL3979830 0.82 SLC7A5 (0.47) PLA2G4BKDM4EALDH1A1GAAPOLB

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