SCHEMBL11595437

SCHEMBL11595437

Cc1cc(CCC(=O)OC(C)OC(=O)CCc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.Cc1cc(CCC(=O)OCOC(=O)CCc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.Cc1cc(CCC(=O)OCOC(=O)CCc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.Cc1cc(CCC(=O)OCOC(=O)CCc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 2/20 0.37
PKM P14618 1/20 0.37
HMGCR P04035 2/20 0.36
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
AGTR1 P30556 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL10966364 0.92 GAA (0.51) GAAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL40193 0.92 GAA (0.51) GAAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL2862674 0.91 GAA (0.51) GAAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL30504879 0.91 GAA (0.51) GAAKMT2AMEN1CYP1A2CYP2C9
Ethylene Glycol SCHEMBL5305520 0.87 GAA (0.48) GAAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL1083078 0.87 GAA (0.56) GAAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL25813121 0.87 GAA (0.43) GAAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL7245953 0.87 GAA (0.43) GAAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL551089 0.86 GAA (0.51) GAAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL29586862 0.86 GAA (0.51) GAAKMT2AMEN1CYP1A2CYP2C9

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-4101326-A Process for making stabilized polyesters used in radiation-sensitive compositions for lithographic plates having improved wear life including hindered phenols and phosphoric acid esters EASTMAN KODAK COMPANY (US) 1978-07-18 US claimed
US-4101326-A Process for making stabilized polyesters used in radiation-sensitive compositions for lithographic plates having improved wear life including hindered phenols and phosphoric acid esters EASTMAN KODAK COMPANY (US) 1978-07-18 US disclosed