SCHEMBL4337135

SCHEMBL4337135

CC(C)(C)c1cc(COP(=O)([O-])Oc2ccccc2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(COP(=O)([O-])Oc2ccccc2)cc(C(C)(C)C)c1O.[Ba+2]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
GAA P10253 3/20 0.50
HMGCR P04035 3/20 0.42
NR1I2 O75469 1/20 0.40
ALDH1A1 P00352 6/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
AGTR1 P30556 1/20 0.39
PTGS2 P35354 3/20 0.37
TSHR P16473 3/20 0.37
MAPK1 P28482 3/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
BLM P54132 2/20 0.37
ATM Q13315 2/20 0.37
HIF1A Q16665 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37

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
SCHEMBL11853591 0.85 GAA (0.56) MEN1KMT2AGAAHMGCRNR1I2
Bicarbonate SCHEMBL11239273 0.82 ALDH1A1 (0.51) MEN1KMT2AGAAHMGCRNR1I2
SCHEMBL916765 0.82 MEN1 (0.59) MEN1KMT2AGAAHMGCRNR1I2
SCHEMBL911443 0.79 GAA (0.65) MEN1KMT2AGAAHMGCRNR1I2
SCHEMBL4344756 0.79 HMGCR (0.48) MEN1KMT2AGAAHMGCRNR1I2
Phenol SCHEMBL29285406 0.78 GAA (0.56) MEN1KMT2AGAAHMGCRNR1I2
SCHEMBL4338116 0.78 HMGCR (0.57) MEN1KMT2AGAAHMGCRNR1I2
SCHEMBL4347219 0.78 HMGCR (0.57) MEN1KMT2AGAAHMGCRNR1I2
SCHEMBL939702 0.78 HMGCR (0.57) MEN1KMT2AGAAHMGCRNR1I2
SCHEMBL4340300 0.78 HMGCR (0.57) MEN1KMT2AGAAHMGCRNR1I2

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-20090297752-A1 POLYESTER RESIN, POLYESTER RESIN COMPOSITION THEREFROM AND USE THEREOF TOYO BOSEKI KABUSHIKI KAISHA (JP) 2009-12-03 US disclosed