SCHEMBL16478409

SCHEMBL16478409

Cc1cc(C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.52
KMT2A Q03164 5/20 0.49
ALOX5 P09917 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
AGTR1 P30556 1/20 0.42
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 2/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
BLM P54132 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL785206 0.91 GAA (0.57) GAAKMT2AALOX5PTGS1PTGS2
SCHEMBL784938 0.82 GAA (0.57) GAAKMT2AALOX5PTGS1PTGS2
SCHEMBL16478411 0.81 GAA (0.52) GAAKMT2AALOX5PTGS1PTGS2
SCHEMBL7196524 0.78 GAA (0.59) GAAKMT2AALOX5PTGS1PTGS2
SCHEMBL20560119 0.77 GAA (0.54) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL11802510 0.77 PTGS2 (0.62) GAAKMT2AALOX5PTGS1PTGS2
SCHEMBL28324794 0.77 GAA (0.57) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL9178091 0.76 PTGS2 (0.61) KMT2AALOX5PTGS1PTGS2MEN1
SCHEMBL9726973 0.76 GAA (0.64) GAAKMT2AALOX5PTGS1PTGS2
SCHEMBL11520659 0.75 GAA (0.68) GAAKMT2AMEN1ALDH1A1LMNA

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-8691933-B2 Stabilized polyolefin compositions POLNOX CORPORATION (US) 2014-04-08 US disclosed