SCHEMBL8527487

SCHEMBL8527487

CCS(=O)(=O)OCCOCCO

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CASP1 P29466 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL27470057 0.98 MEN1 (0.48) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL8523624 0.85
SCHEMBL7167892 0.85
SCHEMBL8529398 0.85 MEN1 (0.45) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9098826 0.85 MEN1 (0.45) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL28126752 0.83 ALDH1A1 (0.38) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL24786818 0.81 CA1 (0.42) TSHRMAPK1CYP3A4CA1CA2
SCHEMBL28223268 0.81 MEN1 (0.44) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL28469269 0.80 MEN1 (0.48) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL31576767 0.80 MEN1 (0.48) MEN1KMT2ATSHRMAPK1THRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843878-A Detergent compositions comprising soil release agents PROCTER & GAMBLE COMPANY (US) 1998-12-01 US disclosed
US-5834412-A POLYETHYLENE TEREPHTHALATE COMPRISING FLUORESCENT WHITENING GROUPS THE PROCTER & GAMBLE COMPANY (US) 1998-11-10 US disclosed
US-5827813-A DETERGENT SURFACTANT, N,N,N',N'-TETRAKIS(2-HYDROXYPROPYL)ETHYLENEDIAMINE PROCTER & GAMBLE COMPANY (US) 1998-10-27 US disclosed
US-5728671-A OLIGOMERS, POLYESTERS WITH FLUORESCENT WHITENING GROUPS FOR SOILS RELEASE THE PROCTER & GAMBLE COMPANY (US) 1998-03-17 US disclosed