SCHEMBL15535138

SCHEMBL15535138

CCCCCCN1C=CN(C)C1C1N(CC)C=CN1CCCC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
MGLL Q99685 2/20 0.32
FAAH O00519 1/20 0.32
GUSB P08236 2/20 0.30
EBP Q15125 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
TBXAS1 P24557 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
SCHEMBL16286689 0.94 TP53 (0.31)
SCHEMBL3112968 0.93 PTGS1 (0.35) PTGS1PTGS2MGLLFAAHGUSB
SCHEMBL15535407 0.91 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHGUSB
SCHEMBL15536440 0.91 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHGUSB
SCHEMBL4379996 0.91 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHGUSB
SCHEMBL29220055 0.76 EBP (0.36) PTGS1PTGS2MGLLFAAHGUSB
SCHEMBL17139700 0.74
SCHEMBL5288026 0.73 EBP (0.37) PTGS1PTGS2MGLLFAAHGUSB
SCHEMBL5304234 0.73 EBP (0.37) PTGS1PTGS2MGLLFAAHGUSB
SCHEMBL5283724 0.73 EBP (0.37) PTGS1PTGS2MGLLFAAHGUSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2854749-A2 ANIONIC DYE OR BRIGHTENER BEARING AN AMMONIUM OR PHOSPHONIUM COUNTERION, DYE COMPOSITION COMPRISING THEM AND PROCESS FOR DYEING KERATIN FIBRES USING THESE DYES L'Oréal (FR) 2015-04-08 EP claimed
WO-2013175002-A2 ANIONIC DYE OR BRIGHTENER BEARING AN AMMONIUM OR PHOSPHONIUM COUNTERION, DYE COMPOSITION COMPRISING THEM AND PROCESS FOR DYEING KERATIN FIBRES USING THESE DYES L'OREAL (FR) 2013-11-28 WO claimed
WO-2015078903-A1 COSMETIC PROCESS FOR LIGHTENING THE SKIN WITH AN ANIONIC OPTICAL BRIGHTENER L'OREAL (FR) 2015-06-04 WO disclosed
EP-2854749-A2 ANIONIC DYE OR BRIGHTENER BEARING AN AMMONIUM OR PHOSPHONIUM COUNTERION, DYE COMPOSITION COMPRISING THEM AND PROCESS FOR DYEING KERATIN FIBRES USING THESE DYES L'Oréal (FR) 2015-04-08 EP disclosed
WO-2013175002-A2 ANIONIC DYE OR BRIGHTENER BEARING AN AMMONIUM OR PHOSPHONIUM COUNTERION, DYE COMPOSITION COMPRISING THEM AND PROCESS FOR DYEING KERATIN FIBRES USING THESE DYES L'OREAL (FR) 2013-11-28 WO disclosed