SCHEMBL974962

SCHEMBL974962

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.46
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.42
ALOX5 P09917 1/20 0.39
HTT P42858 2/20 0.38
PKM P14618 1/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SCN2A Q99250 1/20 0.37
APP P05067 1/20 0.36
VCAM1 P19320 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
AGTR1 P30556 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL22991673 0.96 GAA (0.49) GAAKMT2AMEN1ALOX5HTT
SCHEMBL20390735 0.96 GAA (0.49) GAAKMT2AMEN1ALOX5HTT
SCHEMBL106874 0.95 GAA (0.47) GAAKMT2AMEN1ALOX5HTT
SCHEMBL3251294 0.95 GAA (0.47) GAAKMT2AMEN1ALOX5HTT
SCHEMBL29351339 0.94 GAA (0.48) GAAKMT2AMEN1ALOX5HTT
SCHEMBL29395480 0.94 GAA (0.48) GAAKMT2AMEN1ALOX5HTT
SCHEMBL29363126 0.94 GAA (0.48) GAAKMT2AMEN1ALOX5HTT
SCHEMBL97797 0.94 GAA (0.48) GAAKMT2AMEN1ALOX5HTT
SCHEMBL6258772 0.94 GAA (0.48) GAAKMT2AMEN1ALOX5HTT
SCHEMBL756228 0.93 GAA (0.45) GAAKMT2AMEN1ALOX5HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2281685-B1 MULTILAYER SHEET FOR LASER MARKING JAPAN COLORING CO LTD (JP) 2013-10-23 EP disclosed
EP-2565228-A1 CELLULOSE ACETATE FILM, AND POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE WHICH ARE MADE USING SAME Konica Minolta Advanced Layers, Inc. (JP) 2013-03-06 EP disclosed
US-20110021678-A1 POLYCARBONATE RESIN COMPOSITION, MOLDED POLYCARBONATE RESIN, AND PROCESS FOR PRODUCING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-01-27 US disclosed
US-20100316860-A1 FLAME-RETARDANT POLYCARBONATE RESIN COMPOSITION, POLYCARBONATE RESIN MOLDED ARTICLE, AND METHOD FOR PRODUCING THE POLYCARBONATE RESIN MOLDED ARTICLE IDEMITSU KOSAN CO., LTD. (JP) 2010-12-16 US disclosed
EP-0835896-A1 POLYESTER AMIDE COPOLYMER AND PROCESS FOR THE PRODUCTION THEREOF, POLYESTER AMIDE MONOMER AND PROCESS FOR THE PRODUCTION THEREOF, AND POLYESTER AMIDE RESIN COMPOSITION TORAY INDUSTRIES, INC. (JP) 1998-04-15 EP disclosed