SCHEMBL4661561

SCHEMBL4661561

CCCCN1CCC(=O)CC1.CCCCN1CCCC(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ABCB1 P08183 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SIGMAR1 Q99720 5/20 0.39
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
ALOX5 P09917 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
DRD4 P21917 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR1A P08908 1/20 0.35

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
SCHEMBL3888831 0.95 ABCB1 (0.46) ALDH1A1THRBHPGDL3MBTL1ABCB1
SCHEMBL3893884 0.94 ALOX5 (0.45) ALDH1A1THRBHPGDL3MBTL1ABCB1
SCHEMBL3883794 0.94 ALOX5 (0.45) ALDH1A1THRBHPGDL3MBTL1ABCB1
SCHEMBL3885091 0.94 ALOX5 (0.45) ALDH1A1THRBHPGDL3MBTL1ABCB1
SCHEMBL3893753 0.94 ALOX5 (0.45) ALDH1A1THRBHPGDL3MBTL1ABCB1
SCHEMBL3889867 0.94 ALOX5 (0.45) ALDH1A1THRBHPGDL3MBTL1ABCB1
SCHEMBL3734236 0.93 ALDH1A1 (0.44) ALDH1A1THRBHPGDL3MBTL1ABCB1
Bromide SCHEMBL3733216 0.91 ALDH1A1 (0.43) ALDH1A1THRBHPGDL3MBTL1ABCB1
Hydrochloric Acid SCHEMBL3732548 0.91 ALDH1A1 (0.43) ALDH1A1THRBHPGDL3MBTL1ABCB1
SCHEMBL4661173 0.90 L3MBTL1 (0.41) ALDH1A1THRBL3MBTL1HRH3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007343-A1 BLEACHING AGENTS CONTAINING PIPERIDONES Henkel AG & Co. KGaA (DE) 2008-12-31 EP disclosed
WO-2008022996-A1 LIGHTENING AGENTS AND/OR COLORANTS CONTAINING POLYOL ESTERS HENKEL AG & CO. KGAA (DE) 2008-02-28 WO disclosed
WO-2007118618-A1 BLEACHING AGENTS CONTAINING PIPERIDONES HENKEL AG & CO. KGAA (DE) 2007-10-25 WO disclosed