SCHEMBL9467415

SCHEMBL9467415

CC(C)(C)c1cc(CCC(=O)OCC(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CCC(=O)OCCCCCCOC(=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 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.50
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.43
ALOX5 P09917 1/20 0.41
APP P05067 1/20 0.40
HTT P42858 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39
VCAM1 P19320 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
AGTR1 P30556 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL10578375 0.95 GAA (0.49) GAAKMT2A
SCHEMBL7243879 0.95 GAA (0.55) GAAKMT2AMEN1ALOX5APP
SCHEMBL10458974 0.95 GAA (0.55) GAAKMT2AMEN1ALOX5APP
SCHEMBL753935 0.95 GAA (0.55) GAAKMT2AMEN1ALOX5APP
SCHEMBL20390738 0.95 GAA (0.55) GAAKMT2AMEN1ALOX5APP
SCHEMBL30331 0.95 GAA (0.55) GAAKMT2AMEN1ALOX5APP
SCHEMBL20461221 0.95 GAA (0.55) GAAKMT2AMEN1ALOX5APP
SCHEMBL858491 0.93 GAA (0.56) GAAKMT2AMEN1ALOX5APP
SCHEMBL30209 0.92 GAA (0.57) GAAKMT2AMEN1ALOX5HTT
SCHEMBL11997809 0.91 GAA (0.51) GAAKMT2AMEN1ALOX5APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202127-A Moth-proofing method using trioxane as sole active MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1993-04-13 US disclosed
EP-0269292-B1 INSECT-PROOFING AGENT AND INSECT PROOFING METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-04-08 EP disclosed
EP-0269292-A1 Insect-proofing agent and insect proofing method MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1988-06-01 EP disclosed