SCHEMBL8528907

SCHEMBL8528907

CC(C)(C)c1cc(CCC(=O)OCCc2ccccc2)cc(C(C)(C)C)c1O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.67
TDP1 Q9NUW8 1/20 0.60
APP P05067 2/20 0.60
GAA P10253 5/20 0.50
MAOB P27338 3/20 0.48
MAOA P21397 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
AGTR1 P30556 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 2/20 0.46
ACHE P22303 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
SCHEMBL20390739 0.92 GAA (0.57) ALOX5TDP1APPGAAALDH1A1
SCHEMBL22677612 0.89 ALOX5 (0.54) ALOX5TDP1APPGAAMAOB
SCHEMBL208761 0.89 GAA (0.60) ALOX5TDP1APPGAAALDH1A1
SCHEMBL8150534 0.88 ALOX5 (0.66) ALOX5TDP1APPGAAMAOB
SCHEMBL8526866 0.88 GAA (0.52) ALOX5TDP1APPGAAMAOB
SCHEMBL1311009 0.87 ALOX5 (0.51) ALOX5TDP1APPGAAALDH1A1
Ethylene SCHEMBL4038426 0.86 GAA (0.57) ALOX5TDP1APPGAAALDH1A1
Ethylene SCHEMBL6909288 0.86 GAA (0.57) ALOX5TDP1APPGAAALDH1A1
Ethylene SCHEMBL1805199 0.86 GAA (0.57) ALOX5TDP1APPGAAALDH1A1
Ethylene SCHEMBL1191582 0.86 GAA (0.57) ALOX5TDP1APPGAAALDH1A1

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-0659814-B1 Use of anti-scorch agents in the preparation of isocyanate-based foams BAYER AG (DE) 1998-03-11 EP disclosed
US-5459171-A Adding stabilizer during production of polyurethane foams; furniture upholstry, textile linings, mattresses, seats, sponges BAYER AKTIENGESELLSCHAFT (DE) 1995-10-17 US disclosed
EP-0659814-A1 Use of anti-scorch agents in the preparation of isocyanate-based foams BAYER AG (DE) 1995-06-28 EP disclosed
US-3969530-A 4-Hydroxy-3,5-di-alkyl-phenyl-propionic acid composition suitable as lipid lowering and anti-diabetic agents HOECHST AKTIENGESELLSCHAFT (DT) 1976-07-13 US disclosed