SCHEMBL5488093

SCHEMBL5488093

CCCCCCCCCCCCCCCCC[N+](CC)(CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC

nearest known ligand 0.88

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.88
SLC22A1 O15245 3/20 0.81
ALDH1A1 P00352 1/20 0.77
TP53 P04637 1/20 0.77
CYP3A4 P08684 1/20 0.77
ALOX15 P16050 1/20 0.77
TSHR P16473 1/20 0.77
ALOX12 P18054 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
HIF1A Q16665 1/20 0.77
HSD17B10 Q99714 1/20 0.77
SLC22A2 O15244 1/20 0.75
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL5294939 1.00 DNM1 (0.88) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL2865212 1.00 DNM1 (0.88) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL2546183 1.00 DNM1 (0.88) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL5309002 1.00 DNM1 (0.88) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL5296659 1.00 DNM1 (0.88) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL5285128 1.00 DNM1 (0.88) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL634319 1.00 DNM1 (0.88) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL635812 1.00 DNM1 (0.88) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL2547114 1.00 DNM1 (0.88) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL2547260 1.00 DNM1 (0.88) DNM1SLC22A1ALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed