SCHEMBL5283926

SCHEMBL5283926

CCCCCCN1N=CN(CCC)C1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
PTGS1 P23219 3/20 0.30
PTGS2 P35354 3/20 0.30
MGLL Q99685 2/20 0.30
FAAH O00519 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
SCHEMBL5276593 0.94 ALDH1A1 (0.33) ALDH1A1PTGS1PTGS2MGLLFAAH
SCHEMBL5277218 0.94
SCHEMBL5276687 0.91 ALDH1A1 (0.33) ALDH1A1PTGS1PTGS2MGLLFAAH
SCHEMBL5277298 0.89 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5276287 0.89
SCHEMBL5278483 0.88
SCHEMBL5277879 0.86 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5279951 0.86 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5285460 0.85
SCHEMBL5276995 0.85 ALDH1A1 (0.35) ALDH1A1PTGS1PTGS2MGLLFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed