SCHEMBL5327460

SCHEMBL5327460

CCCn1cc[n+](CCC)c1CC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
EEF2K O00418 2/20 0.33
EEF2 P13639 2/20 0.33
MEN1 O00255 1/20 0.33
PLK4 O00444 1/20 0.33
JAK2 O60674 1/20 0.33
EGFR P00533 1/20 0.33
TYK2 P29597 1/20 0.33
FLT3 P36888 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
ITK Q08881 1/20 0.33
PIM2 Q9P1W9 1/20 0.33

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
Formic Acid SCHEMBL1767526 0.90 CA1 (0.33) CA1CA2
SCHEMBL5291186 0.89 CA1 (0.43) CA1CA2EEF2KEEF2MEN1
SCHEMBL5291189 0.89 CA1 (0.46) CA1CA2EEF2KEEF2MEN1
SCHEMBL5299909 0.89 CA1 (0.38) CA1CA2EEF2KEEF2MEN1
SCHEMBL5298261 0.87 CA1 (0.53) CA1CA2EEF2KEEF2MEN1
SCHEMBL5298258 0.87 KMT2A (0.46) CA1CA2EEF2KEEF2MEN1
SCHEMBL2812303 0.86 CA1 (0.36) CA1CA2EEF2KEEF2MEN1
SCHEMBL5296495 0.86 CA1 (0.36) CA1CA2EEF2KEEF2MEN1
SCHEMBL5293899 0.86 MEN1 (0.48) CA1CA2EEF2KEEF2MEN1
SCHEMBL5293889 0.86 CA1 (0.55) CA1CA2EEF2KEEF2MEN1

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