SCHEMBL14980602

SCHEMBL14980602

NCCN(CCO)CCN1CCN(CCNCCO)CC1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.50
SIGMAR1 Q99720 1/20 0.35
ALOX15 P16050 1/20 0.32

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
SCHEMBL14980600 0.90 ACE2 (0.63) ACE2SIGMAR1ALOX15
SCHEMBL16078967 0.90 ACE2 (0.42) ACE2SIGMAR1
SCHEMBL14980601 0.87 ALOX15 (0.42) ACE2SIGMAR1ALOX15
SCHEMBL16075890 0.83 KDM4E (0.37) ACE2
SCHEMBL14980599 0.83 ALOX15 (0.50) ACE2SIGMAR1ALOX15
SCHEMBL16504257 0.83 ACE2 (0.52) ACE2SIGMAR1ALOX15
SCHEMBL2748225 0.81 CYP2C9 (0.37) ALOX15
SCHEMBL16920221 0.79 ACE2 (0.79) ACE2SIGMAR1ALOX15
SCHEMBL29860788 0.78 ACE2 (0.50) ACE2SIGMAR1ALOX15
SCHEMBL16078964 0.78 ACE2 (0.63) ACE2SIGMAR1ALOX15

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-8450298-B2 Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-28 US disclosed