SCHEMBL8591963

SCHEMBL8591963

CCCCOC(=O)N(C)C(CCC(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.36
CHRNB2 P17787 3/20 0.36
CHRNA4 P43681 3/20 0.36
HCAR2 Q8TDS4 1/20 0.36
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34
ESR1 P03372 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
ALOX5 P09917 1/20 0.32
PPARG P37231 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
SCHEMBL7375873 0.86 ALDH1A1 (0.39) ALDH1A1ATMCHRNB2CHRNA4HCAR2
SCHEMBL5077756 0.84 ALDH1A1 (0.42) ALDH1A1ATMHCAR2TSHRHPGD
SCHEMBL28701710 0.80 ACE2 (0.36) ALDH1A1HCAR2TSHRACE2
SCHEMBL30890639 0.79 ITGB3 (0.38) ALDH1A1ATMCHRNB2CHRNA4HCAR2
SCHEMBL30890666 0.79 ITGB3 (0.38) ALDH1A1ATMCHRNB2CHRNA4HCAR2
SCHEMBL1759122 0.79 ALDH1A1 (0.44) ALDH1A1ATMCHRNB2CHRNA4HCAR2
SCHEMBL3059935 0.79 ALDH1A1 (0.44) ALDH1A1ATMCHRNB2CHRNA4HCAR2
SCHEMBL2966900 0.78 TSHR (0.44) ALDH1A1ATMHCAR2TSHRHPGD
SCHEMBL2966906 0.78 TSHR (0.44) ALDH1A1ATMHCAR2TSHRHPGD
SCHEMBL18248175 0.77 ALDH1A1 (0.36) ALDH1A1ATMHCAR2TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792150-A4 2-(2,3,5,6-TETRAFLUORO-4-PYRIDYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP INC (US) 1998-03-11 EP disclosed
EP-0792150-A1 2-(2,3,5,6-TETRAFLUORO-4-PYRIDYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1997-09-03 EP disclosed
WO-1996016654-A1 2-(2,3,5,6-TETRAFLUORO-4-PYRIDYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-06-06 WO disclosed