SCHEMBL13605263

SCHEMBL13605263

CC1(C)CC(OC(=O)C(C)(CCc2cc(C(C)(C)C)c(O)c(C(C)(C)CC(C)(C)c3cc(CCC(C)(C(=O)OC4CC(C)(C)NC(C)(C)C4)C(=O)OC4CC(C)(C)NC(C)(C)C4)cc(C(C)(C)C)c3O)c2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
HMGCR P04035 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TSHR P16473 2/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
BLM P54132 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL14137229 0.95 GAA (0.39) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL13599628 0.85 GAA (0.37) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL20428970 0.84 ALDH1A1 (0.41) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL13599613 0.80 GAA (0.34) GAAKMT2AMEN1PKMHTT
SCHEMBL5075832 0.79 ALDH1A1 (0.41) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL10348415 0.79 GAA (0.46) GAAKMT2AMEN1ALDH1A1PKM
SCHEMBL31363 0.78 ALDH1A1 (0.36) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL11485762 0.77 GAA (0.35) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL12897908 0.77 KMT2A (0.35) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL13599660 0.77 ALDH1A1 (0.39) GAAKMT2AMEN1ALDH1A1KDM4E

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-20090306361-A1 PROCESS FOR PRODUCING CELLULOSE ESTER FILM, CELLULOSE ESTER FILM, POLARIZATION PLATE AND DISPLAY UNIT KONICA MINOLTA OPTO, INC. (JP) 2009-12-10 US disclosed