SCHEMBL6563168

SCHEMBL6563168

CN1C(=O)N(O)C(=O)C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.37
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
AR P10275 1/20 0.33
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 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
SCHEMBL1450201 0.77 POLB (0.30)
SCHEMBL12811834 0.76 AR (0.33) AR
SCHEMBL417571 0.74 PLA2G7 (0.39) PLA2G7LMNAHSD17B10AR
SCHEMBL19014728 0.70 PLA2G7 (0.37) PLA2G7LMNAHSD17B10AR
SCHEMBL18702444 0.70 PLA2G7 (0.37) PLA2G7LMNAHSD17B10AR
SCHEMBL25488449 0.70 PLA2G7 (0.37) PLA2G7LMNAHSD17B10AR
SCHEMBL16702762 0.70 PLA2G7 (0.37) PLA2G7LMNAHSD17B10AR
SCHEMBL7021223 0.70 PLA2G7 (0.37) PLA2G7LMNAHSD17B10AR
SCHEMBL422413 0.70 PLA2G7 (0.49) PLA2G7NR1H2NR1H3
SCHEMBL11362806 0.70 MAPK1 (0.35) PLA2G7LMNAHSD17B10AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0982993-B1 PRESERVATIVE COMPOSITIONS BASED ON IODOPROPYNL- AND FORMALDEHYDE DONOR COMPOUNDS AIR LIQUIDE SANTE INT (FR) 2004-03-24 EP disclosed
US-6355679-B1 BACTERICIDES, FUNGICIDES AIR LIQUIDE SANTE (INTERNATIONAL) (FR) 2002-03-12 US disclosed