SCHEMBL6051228

SCHEMBL6051228

CCCCC(CC)COCC(O)COc1ccc(-c2nc(-c3ccc(C)cc3C)cc(-c3ccc(C)cc3C)n2)c(O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPK1 P28482 2/20 0.32
TLR8 Q9NR97 1/20 0.32
PLA2G4B P0C869 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
LMNA P02545 3/20 0.32
TSHR P16473 2/20 0.31
ALDH1A1 P00352 2/20 0.31
ADRB2 P07550 2/20 0.31
ADRB1 P08588 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL77080 0.94 PLA2G4B (0.33) TP53SMN1; SMN2MAPK1PLA2G4BNPC1
SCHEMBL20604121 0.94 PLA2G4B (0.33) TP53SMN1; SMN2MAPK1PLA2G4BNPC1
SCHEMBL28354317 0.90 CDK4 (0.32) TP53SMN1; SMN2MAPK1PLA2G4BNPC1
SCHEMBL22017460 0.90 PLA2G4B (0.35) TP53SMN1; SMN2MAPK1PLA2G4BLMNA
SCHEMBL12755375 0.88 PLA2G4B (0.38) MAPK1PLA2G4BNPC1POLBRAB9A
SCHEMBL8910146 0.88 PLA2G4B (0.33) SMN1; SMN2MAPK1PLA2G4BNPC1RAB9A
SCHEMBL16083397 0.88 PLA2G4B (0.33) SMN1; SMN2MAPK1PLA2G4BNPC1RAB9A
SCHEMBL14431829 0.86 ADRB2 (0.36) SMN1; SMN2NPC1POLBRAB9ALMNA
SCHEMBL6051254 0.86 PLA2G4B (0.43) TP53SMN1; SMN2MAPK1TLR8PLA2G4B
SCHEMBL20024340 0.85 LMNA (0.37) TP53SMN1; SMN2MAPK1TLR8NPC1

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-1680463-A2 STABILIZER COMPOSITIONS FOR HALOGEN CONTAINING POLYMERS Ciba SC Holding AG (CH) 2006-07-19 EP disclosed
EP-1539873-A2 STABILLIZATION OF ORGANIC MATERIALS Ciba SC Holding AG (CH) 2005-06-15 EP disclosed
WO-2005049715-A2 STABILIZER COMPOSITIONS FOR HALOGEN CONTAINING POLYMERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-06-02 WO disclosed
WO-2004024810-A2 STABILLIZATION OF ORGANIC MATERIALS CIBA, SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-03-25 WO disclosed