SCHEMBL8699680

SCHEMBL8699680

CCCCOCCOC=CO

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.34
RARB P10826 1/20 0.33
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CES2 O00748 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL8853255 0.92 HTT (0.55) TSHRMEN1THRBHTTKMT2A
SCHEMBL8853161 0.92 HTT (0.55) TSHRMEN1THRBHTTKMT2A
SCHEMBL3925370 0.86
SCHEMBL144981 0.86
SCHEMBL6419415 0.82 ALDH1A1 (0.43) TSHRTHRBALDH1A1
SCHEMBL1477107 0.80 TSHR (0.44) TSHRMEN1THRBHTTKMT2A
SCHEMBL5136184 0.79
SCHEMBL29093104 0.77 THRB (0.41) TSHRMEN1THRBHTTKMT2A
SCHEMBL8852986 0.77 THRB (0.41) TSHRMEN1THRBHTTKMT2A
SCHEMBL29226972 0.77 THRB (0.41) TSHRMEN1THRBHTTKMT2A

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-0617894-B1 Liquid concentrated herbicidal glyphosate compositions MONSANTO EUROPE SA (BE) 1998-12-16 EP claimed
EP-0617894-A1 Liquid concentrated herbicidal glyphosate compositions MONSANTO EUROPE S.A./N.V. (BE) 1994-10-05 EP claimed
EP-0617894-B1 Liquid concentrated herbicidal glyphosate compositions MONSANTO EUROPE SA (BE) 1998-12-16 EP disclosed
US-5565409-A CONTAINING SURFACTANT MIXTURE OF AN ALKOXYLATED FATTY AMINE AND ALKOXYLATED QUATERNARY AMMONIUM SALT MONSANTO COMPANY (US) 1996-10-15 US disclosed
EP-0617894-A1 Liquid concentrated herbicidal glyphosate compositions MONSANTO EUROPE S.A./N.V. (BE) 1994-10-05 EP disclosed