SCHEMBL7778348

SCHEMBL7778348

OCCCCOCC#CI

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL10756079 0.83
SCHEMBL11315702 0.77 HTT (0.40) MEN1THRBHTTKMT2AMAPT
SCHEMBL7629634 0.77 GAA (0.33) GAAMEN1THRBHTTKMT2A
Carbamic Acid SCHEMBL9719090 0.72 POLB (0.35) GAAMEN1KMT2APOLBTSHR
SCHEMBL2360071 0.71
SCHEMBL21634 0.71 TSHR (0.53) GAAMEN1THRBHTTKMT2A
SCHEMBL7986742 0.71 TSHR (0.53) GAAMEN1THRBHTTKMT2A
SCHEMBL148805 0.71 TSHR (0.53) GAAMEN1THRBHTTKMT2A
SCHEMBL10476209 0.71 TSHR (0.53) GAAMEN1THRBHTTKMT2A
SCHEMBL152123 0.71 TSHR (0.53) GAAMEN1THRBHTTKMT2A

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
JP-2001064238-A ETHYLENE GLYCOL DERIVATIVE AND PEST CONTROLLING AGENT UBE IND LTD 2001-03-13 JP disclosed