SCHEMBL5283488

SCHEMBL5283488

CCCCCCN1N=CN(C)C1CCC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.33
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
MGLL Q99685 2/20 0.32
FAAH O00519 1/20 0.32
GBA1 P04062 1/20 0.31
GUSB P08236 2/20 0.30
EBP Q15125 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL5279039 0.93 TBXAS1 (0.33) TBXAS1PTGS1PTGS2MGLLFAAH
SCHEMBL5276132 0.93
SCHEMBL5287058 0.87 TBXAS1 (0.34) TBXAS1PTGS1PTGS2MGLLFAAH
SCHEMBL5288647 0.85
SCHEMBL5276243 0.85
SCHEMBL5275255 0.83 TBXAS1 (0.32) TBXAS1PTGS1PTGS2MGLLFAAH
SCHEMBL5275225 0.83 KMT2A (0.35) TBXAS1PTGS1PTGS2MGLLFAAH
SCHEMBL5279191 0.83 TBXAS1 (0.32) TBXAS1PTGS1PTGS2MGLLFAAH
SCHEMBL5277260 0.83 TBXAS1 (0.32) TBXAS1PTGS1PTGS2MGLLFAAH
SCHEMBL5273372 0.83 TBXAS1 (0.32) TBXAS1PTGS1PTGS2MGLLFAAH

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