SCHEMBL5306136

SCHEMBL5306136

CCCCCN(C)C(N(C)C)=[N+](C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.41
EPHX2 P34913 5/20 0.34
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GGPS1 O95749 4/20 0.32
GBA1 P04062 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
FDPS P14324 1/20 0.31
AGTR1 P30556 1/20 0.31
OPRM1 P35372 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL5307571 0.98 DNM1 (0.44) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL5305480 0.98 DNM1 (0.44) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL5291404 0.98 DNM1 (0.44) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL5297769 0.98 DNM1 (0.44) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL5291697 0.98 DNM1 (0.44) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL5297750 0.98 DNM1 (0.44) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL5308216 0.98 DNM1 (0.44) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL5288467 0.98 DNM1 (0.44) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL5301025 0.98 DNM1 (0.44) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL5304893 0.98 DNM1 (0.44) DNM1EPHX2S1PR2S1PR1S1PR3

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