SCHEMBL13766

SCHEMBL13766

NC(=O)NC1CCCN(CCOCCO)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.46
EGFR P00533 1/20 0.39
LCK P06239 1/20 0.39
JAK3 P52333 1/20 0.39
BTK Q06187 1/20 0.39
KDM4E B2RXH2 2/20 0.38
BCHE P06276 1/20 0.37
SLC6A1 P30531 3/20 0.37

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
SCHEMBL14853423 0.84 BCHE (0.40) LTA4HEGFRLCKJAK3BTK
SCHEMBL14850283 0.81 CACNA1H (0.49) EGFRLCKJAK3BTKKDM4E
SCHEMBL13743 0.80 BCHE (0.43) LTA4HBCHE
SCHEMBL14394 0.80 LTA4H (0.43) LTA4HBCHE
SCHEMBL13781 0.80 LTA4H (0.43) LTA4HBCHE
SCHEMBL14250 0.80 LTA4H (0.43) LTA4HBCHE
SCHEMBL31293958 0.74 LTA4H (0.55) LTA4H
SCHEMBL16993049 0.72 KMT2A (0.43) KDM4E
SCHEMBL22654835 0.72 KMT2A (0.43) KDM4E
SCHEMBL17277607 0.72 KDM4E (0.55) KDM4E

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
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed