SCHEMBL11248772

SCHEMBL11248772

CC(C)(C)c1cc(CCC(=O)OCCCCSCCCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.49
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.42
ALOX5 P09917 1/20 0.41
VCAM1 P19320 5/20 0.39
GMNN O75496 1/20 0.39
GABBR2 O75899 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL11240201 0.96 GAA (0.50) GAAKMT2AMEN1ALOX5VCAM1
SCHEMBL18837642 0.95 GAA (0.48) GAAKMT2AMEN1ALOX5VCAM1
SCHEMBL18837623 0.94 GAA (0.47) GAAKMT2A
SCHEMBL15958595 0.94 GAA (0.48) GAAKMT2AMEN1ALOX5VCAM1
SCHEMBL858491 0.92 GAA (0.56) GAAKMT2AMEN1ALOX5GMNN
SCHEMBL18837621 0.92 GAA (0.47) GAAKMT2AMEN1ALOX5VCAM1
SCHEMBL18837626 0.92 GAA (0.47) GAAKMT2AMEN1ALOX5VCAM1
SCHEMBL30165 0.91 GAA (0.52) GAAKMT2AMEN1ALOX5VCAM1
SCHEMBL30331 0.91 GAA (0.55) GAAKMT2AMEN1ALOX5VCAM1
SCHEMBL20390738 0.91 GAA (0.55) GAAKMT2AMEN1ALOX5VCAM1

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
US-4341879-A Polyphenylene ether resin composition having improved heat stability and impact strength MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1982-07-27 US disclosed