SCHEMBL8719781

SCHEMBL8719781

CCCCN(C)C(N(C)CCCC)=[N+](CC)CC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.33
EPHX2 P34913 1/20 0.33
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA9 Q16790 3/20 0.32
ALDH1A1 P00352 2/20 0.32
ALDH2 P05091 1/20 0.32
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 1/20 0.30
CA2 P00918 1/20 0.30

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
Hydrochloric Acid SCHEMBL8717388 0.98 DNM1 (0.32) DNM1EPHX2CA12CA1CA9
SCHEMBL20527530 0.78 DNM1 (0.35) DNM1EPHX2CA12CA1CA9
SCHEMBL8717238 0.73 DNM1 (0.31) DNM1EPHX2CA12CA1CA9
SCHEMBL5485564 0.73 CA12 (0.45) CA12CA1CA9ALDH1A1ALDH2
Hydrochloric Acid SCHEMBL8719778 0.71 EPHX2 (0.30) DNM1EPHX2
Hydrochloric Acid SCHEMBL25324285 0.71 CA12 (0.44) CA12CA1CA9ALDH1A1ALDH2
SCHEMBL5306136 0.68 DNM1 (0.41) DNM1EPHX2CA12CA1CA9
SCHEMBL7863959 0.67 DNM1 (0.38) DNM1CA12CA1CA9ALDH1A1
SCHEMBL11874009 0.67 ALDH1A1 (0.46) DNM1EPHX2CA12CA1CA9
SCHEMBL11631933 0.67 EPHX2 (0.52) DNM1EPHX2CA12CA1CA9

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
US-5726856-A Hexasubstituted guanidinium salts and ultracapacitors employing them as electrolytes GENERAL ELECTRIC COMPANY (US) 1998-03-10 US claimed
US-5726856-A Hexasubstituted guanidinium salts and ultracapacitors employing them as electrolytes GENERAL ELECTRIC COMPANY (US) 1998-03-10 US disclosed