SCHEMBL16078967

SCHEMBL16078967

OCCNCCN(CCO)CCN1CCN(CCNCCO)CC1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL16075890 0.93 KDM4E (0.37) ACE2
SCHEMBL14980602 0.90 ACE2 (0.50) ACE2SIGMAR1
SCHEMBL14980600 0.86 ACE2 (0.63) ACE2SIGMAR1
SCHEMBL21922782 0.82 ACE2 (0.58) ACE2SIGMAR1
SCHEMBL16504257 0.81 ACE2 (0.52) ACE2SIGMAR1
SCHEMBL16078965 0.80 ACE2 (0.56) ACE2SIGMAR1
SCHEMBL451439 0.80 CA12 (0.32)
SCHEMBL10885284 0.78 CA12 (0.31)
SCHEMBL16075892 0.78 KDM4E (0.33)
SCHEMBL11028285 0.78 KDM4E (0.33)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140262319-A1 ENVIRONMENTALLY FRIENDLY PERMANENT QUATERNARIES OF POLYAMINES AND THEIR USE AS CLAY STABILIZERS AND METHODS FOR MAKING AND USING SAME Lubrizol Oilfield Solutions, Inc. 2014-09-18 US disclosed