SCHEMBL5282945

SCHEMBL5282945

CCCCn1cc[n+](CCCC)c1CC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
EEF2K O00418 2/20 0.40
EEF2 P13639 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PLK4 O00444 1/20 0.40
JAK2 O60674 1/20 0.40
EGFR P00533 1/20 0.40
TYK2 P29597 1/20 0.40
FLT3 P36888 1/20 0.40
BLM P54132 1/20 0.40
ITK Q08881 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
TLR8 Q9NR97 2/20 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
SCHEMBL5290809 0.95 CA1 (0.49) CA1CA2EEF2KEEF2KMT2A
SCHEMBL5290805 0.95 CA1 (0.53) CA1CA2EEF2KEEF2KMT2A
SCHEMBL5290033 0.93 CA1 (0.55) CA1CA2EEF2KEEF2KMT2A
SCHEMBL5286791 0.93 CA1 (0.51) CA1CA2EEF2KEEF2KMT2A
SCHEMBL5291719 0.93 CA1 (0.51) CA1CA2EEF2KEEF2KMT2A
SCHEMBL5283375 0.93 CA1 (0.51) CA1CA2EEF2KEEF2KMT2A
SCHEMBL5302497 0.93 CA1 (0.51) CA1CA2EEF2KEEF2KMT2A
SCHEMBL5283380 0.93 CA1 (0.55) CA1CA2EEF2KEEF2KMT2A
SCHEMBL5304735 0.93 CA1 (0.51) CA1CA2EEF2KEEF2KMT2A
SCHEMBL5291713 0.93 CA1 (0.55) CA1CA2EEF2KEEF2KMT2A

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