SCHEMBL7596345

SCHEMBL7596345

CCCCCCCCCCCC(N)OC(=O)/C=C\C(=O)OC(N)CCCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46
HCAR2 Q8TDS4 2/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
LAP3 P28838 2/20 0.43
ATM Q13315 1/20 0.42
GPR84 Q9NQS5 3/20 0.41
SPHK1 Q9NYA1 1/20 0.41
FFAR1 O14842 1/20 0.41
LMNA P02545 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.41
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
S1PR2 O95136 3/20 0.40
S1PR1 P21453 3/20 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
SCHEMBL28180758 0.92 ATM (0.45) GRIK1GRIK2HCAR2SLC1A2SLC1A1
SCHEMBL5968274 0.87 GRIK1 (0.40) GRIK1GRIK2SLC1A2SLC1A1LAP3
SCHEMBL5935179 0.87 ZDHHC20 (0.54) ZDHHC20ZDHHC2S1PR2S1PR1S1PR3
SCHEMBL5362505 0.87 ZDHHC20 (0.54) ZDHHC20ZDHHC2S1PR2S1PR1S1PR3
SCHEMBL6131122 0.87 ZDHHC20 (0.54) ZDHHC20ZDHHC2S1PR2S1PR1S1PR3
SCHEMBL6405287 0.87 ZDHHC20 (0.54) ZDHHC20ZDHHC2S1PR2S1PR1S1PR3
SCHEMBL9586573 0.86 TSHR (0.46) GRIK1GRIK2SLC1A2SLC1A1LAP3
SCHEMBL2358225 0.86 TSHR (0.46) GRIK1GRIK2SLC1A2SLC1A1LAP3
SCHEMBL1561590 0.86 TSHR (0.46) GRIK1GRIK2SLC1A2SLC1A1LAP3
SCHEMBL1562749 0.86 TSHR (0.46) GRIK1GRIK2SLC1A2SLC1A1LAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019160694-A1 METHOD AND SYSTEM FOR TAGGING LEATHER OR HIDES TREATED WITH BIOCIDE AND IDENTIFYING SAME BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 2019-08-22 WO claimed
US-20190249360-A1 Method And System For Tagging Leather Or Hides Treated With Biocide And Identifying Same BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 2019-08-15 US claimed
EP-0969723-B1 Microbicidal combinations of Propiconazole with dodecylamine or a dodecylamine salt BUCKMAN LABOR INC (US) 2002-12-04 EP claimed
EP-0969723-A1 MICROBICIDAL COMBINATIONS OF PROPICONAZOLE WITH DODECYLAMINE OR A DODECYLAMINE SALT BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 2000-01-12 EP claimed
US-5902820-A PROPICONAZOLE AND DODECYLAMINE OR A DODECYLAMINE SALT, PRESENT IN A SYNERGISTICALLY EFFECTIVE AMOUNT TO CONTROL THE GROWTH OF AT LEAST ONE MICROORGANISM BUCKMAN LABORATORIES INTERNATIONAL INC. (US) 1999-05-11 US claimed
WO-1998042190-A1 MICROBICIDAL COMBINATIONS OF PROPICONAZOLE WITH DODECYLAMINE OR A DODECYLAMINE SALT BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1998-10-01 WO claimed
EP-0969723-B1 Microbicidal combinations of Propiconazole with dodecylamine or a dodecylamine salt BUCKMAN LABOR INC (US) 2002-12-04 EP disclosed
EP-0969723-A1 MICROBICIDAL COMBINATIONS OF PROPICONAZOLE WITH DODECYLAMINE OR A DODECYLAMINE SALT BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 2000-01-12 EP disclosed
US-5902820-A PROPICONAZOLE AND DODECYLAMINE OR A DODECYLAMINE SALT, PRESENT IN A SYNERGISTICALLY EFFECTIVE AMOUNT TO CONTROL THE GROWTH OF AT LEAST ONE MICROORGANISM BUCKMAN LABORATORIES INTERNATIONAL INC. (US) 1999-05-11 US disclosed
WO-1998042190-A1 MICROBICIDAL COMBINATIONS OF PROPICONAZOLE WITH DODECYLAMINE OR A DODECYLAMINE SALT BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1998-10-01 WO disclosed