SCHEMBL11729367

SCHEMBL11729367

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.43
VCAM1 P19320 3/20 0.42
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
GSR P00390 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GMNN O75496 1/20 0.41
GABBR2 O75899 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 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
SCHEMBL1686195 1.00 GAA (0.51) GAAKMT2AMEN1VCAM1ALOX5
SCHEMBL10399184 0.94 GAA (0.56) GAAKMT2AMEN1VCAM1ALOX5
SCHEMBL808431 0.94 GAA (0.56) GAAKMT2AMEN1VCAM1ALOX5
SCHEMBL11813027 0.94 GAA (0.56) GAAKMT2AMEN1VCAM1ALOX5
SCHEMBL887482 0.93 GAA (0.55) GAAKMT2AMEN1VCAM1ALOX5
SCHEMBL1686204 0.92 GAA (0.44) GAAKMT2AMEN1VCAM1ALOX5
SCHEMBL208761 0.90 GAA (0.60) GAAKMT2AMEN1VCAM1ALOX5
SCHEMBL14601851 0.89 GAA (0.44) GAAKMT2AMEN1VCAM1ALOX5
SCHEMBL12216807 0.89 GAA (0.54) GAAKMT2AMEN1ALOX5ALDH1A1
SCHEMBL18998965 0.89 GAA (0.51) GAAKMT2AMEN1VCAM1ALOX5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4032562-A STABILIZERS CIBA-GEIGY CORPORATION (US) 1977-06-28 US claimed
US-4032562-A STABILIZERS CIBA-GEIGY CORPORATION (US) 1977-06-28 US disclosed