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SCHEMBL11240201

SCHEMBL11240201

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.50
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.43
▸ ALOX5 P09917 1/20 0.41
▸ VCAM1 P19320 6/20 0.40
▸ APP P05067 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTT P42858 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
SCHEMBL15958595 0.97 GAA (0.48) GAAKMT2AMEN1ALOX5VCAM1
SCHEMBL11248772 0.96 GAA (0.49) GAAKMT2AMEN1ALOX5VCAM1
SCHEMBL11373631 0.94 GAA (0.47) GAAKMT2AMEN1ALOX5VCAM1
SCHEMBL18837626 0.93 GAA (0.47) GAAKMT2AMEN1ALOX5VCAM1
SCHEMBL10812013 0.93 GAA (0.44) GAAKMT2AMEN1ALOX5VCAM1
SCHEMBL18837621 0.93 GAA (0.47) GAAKMT2AMEN1ALOX5VCAM1
SCHEMBL30165 0.92 GAA (0.52) GAAKMT2AMEN1ALOX5VCAM1
SCHEMBL18837642 0.92 GAA (0.48) GAAKMT2AMEN1ALOX5VCAM1
Methane SCHEMBL9820093 0.91 GAA (0.51) GAAKMT2AMEN1ALOX5VCAM1
SCHEMBL18837623 0.91 GAA (0.47) GAAKMT2A

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