SCHEMBL5299409

SCHEMBL5299409

CCCCCCCCCCCCCCCC[N+](CCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC

nearest known ligand 0.93

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 4/20 0.87
ALDH1A1 P00352 1/20 0.81
TP53 P04637 1/20 0.81
CYP3A4 P08684 1/20 0.81
ALOX15 P16050 1/20 0.81
TSHR P16473 1/20 0.81
ALOX12 P18054 1/20 0.81
SMN1; SMN2 Q16637 1/20 0.81
HIF1A Q16665 1/20 0.81
HSD17B10 Q99714 1/20 0.81
SLC22A2 O15244 1/20 0.80
DNM1 Q05193 7/20 0.72

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
SCHEMBL5819412 1.00 SLC22A1 (0.87) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5304214 1.00 SLC22A1 (0.87) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5304758 1.00 SLC22A1 (0.87) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL2303777 1.00 SLC22A1 (0.87) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL4374169 1.00 SLC22A1 (0.87) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL2871694 1.00 SLC22A1 (0.87) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL3207962 1.00 SLC22A1 (0.87) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5294484 1.00 SLC22A1 (0.87) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5269147 1.00 SLC22A1 (0.87) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5814372 1.00 SLC22A1 (0.87) 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