SCHEMBL3889867

SCHEMBL3889867

CCCCCCCCCCN1CCC(=O)CC1.CCCCCCCCCCN1CCCC(=O)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
ABCB1 P08183 1/20 0.44
HTR1A P08908 1/20 0.42
GNAI3 P08754 3/20 0.41
GNAO1 P09471 3/20 0.41
GNAI1 P63096 3/20 0.41
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SETD7 Q8WTS6 1/20 0.39
BCHE P06276 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL3883794 1.00 ALOX5 (0.45) ALOX5ABCB1HTR1AGNAI3GNAO1
SCHEMBL3893753 1.00 ALOX5 (0.45) ALOX5ABCB1HTR1AGNAI3GNAO1
SCHEMBL3885091 1.00 ALOX5 (0.45) ALOX5ABCB1HTR1AGNAI3GNAO1
SCHEMBL3893884 1.00 ALOX5 (0.45) ALOX5ABCB1HTR1AGNAI3GNAO1
SCHEMBL3888831 0.98 ABCB1 (0.46) ALOX5ABCB1HTR1AGNAI3GNAO1
SCHEMBL4661561 0.94 ALDH1A1 (0.43) ALOX5ABCB1HTR1AALDH1A1THRB
SCHEMBL3733576 0.94 ALOX5 (0.50) ALOX5ABCB1HTR1AGNAI3GNAO1
SCHEMBL8543152 0.94 ALOX5 (0.50) ALOX5ABCB1HTR1AGNAI3GNAO1
SCHEMBL3729557 0.94 ALOX5 (0.50) ALOX5ABCB1HTR1AGNAI3GNAO1
SCHEMBL3731372 0.94 ALOX5 (0.50) ALOX5ABCB1HTR1AGNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051689-A1 LIGHTENING AGENTS AND/OR DYES THAT CONTAIN ALDEHYDE(S) Henkel AG & Co. KGaA (DE) 2009-04-29 EP disclosed
EP-2012742-A1 BLEACHING AND/OR COLOURING AGENTS CONTAINING PIPERIDONES Henkel AG & Co. KGaA (DE) 2009-01-14 EP disclosed
EP-2007343-A1 BLEACHING AGENTS CONTAINING PIPERIDONES Henkel AG & Co. KGaA (DE) 2008-12-31 EP disclosed
WO-2008068140-A2 MEANS FOR BRIGHTENING COLOR MODIFICATION OF KERATINIC FIBERS, CONTAINING AN ALKYL PHOSPHORIC ACID ESTER HENKEL AG & CO. KGAA (DE) 2008-06-12 WO disclosed
WO-2008022996-A1 LIGHTENING AGENTS AND/OR COLORANTS CONTAINING POLYOL ESTERS HENKEL AG & CO. KGAA (DE) 2008-02-28 WO disclosed
WO-2008019986-A1 LIGHTENING AGENTS AND/OR DYES THAT CONTAIN ALDEHYDE(S) HENKEL AG & CO. KGAA (DE) 2008-02-21 WO disclosed
WO-2007118618-A1 BLEACHING AGENTS CONTAINING PIPERIDONES HENKEL AG & CO. KGAA (DE) 2007-10-25 WO disclosed
WO-2007118617-A1 BLEACHING AND/OR COLOURING AGENTS CONTAINING PIPERIDONES HENKEL AG & CO. KGAA (DE) 2007-10-25 WO disclosed