SCHEMBL5287942

SCHEMBL5287942

CCCCCCCCCCCCCCCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 1.00
ALDH1A1 P00352 1/20 0.93
TP53 P04637 1/20 0.93
CYP3A4 P08684 1/20 0.93
ALOX15 P16050 1/20 0.93
TSHR P16473 1/20 0.93
ALOX12 P18054 1/20 0.93
SMN1; SMN2 Q16637 1/20 0.93
HIF1A Q16665 1/20 0.93
HSD17B10 Q99714 1/20 0.93
SLC22A2 O15244 1/20 0.92
DNM1 Q05193 6/20 0.81
HTT P42858 1/20 0.65

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
SCHEMBL5296604 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL3219205 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5306145 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5296135 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL2872711 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5291412 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5296028 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5293588 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL22806629 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5293579 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15

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