SCHEMBL1653920

SCHEMBL1653920

NCCC(OCc1ccccc1)(OCc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
BRD4 O60885 1/20 0.43
PARP10 Q53GL7 1/20 0.42
GSK3B P49841 1/20 0.42
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
SPHK2 Q9NRA0 1/20 0.42
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL418323 0.79 TDP1 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2HIF1A
SCHEMBL9450994 0.72 KDM4E (0.53) LTA4HNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9629603 0.72 SMN1; SMN2 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2HIF1A
SCHEMBL8760922 0.72 ALDH1A1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL423042 0.72 ALOX5 (0.42) NPC1RAB9ABRD4ALDH1A1SMN1; SMN2
SCHEMBL4952574 0.72 ALDH1A1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2HIF1A
SCHEMBL3579084 0.71 TAAR1 (0.44) SMN1; SMN2
SCHEMBL627618 0.71 SMN1; SMN2 (0.44) NPC1RAB9APARP10ALDH1A1SMN1; SMN2
SCHEMBL27683446 0.71 IDO1 (0.38) LTA4HNPC1RAB9ASMN1; SMN2HIF1A
SCHEMBL11475913 0.71 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HIF1AMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486044-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Achaogen, Inc. (US) 2012-08-15 EP disclosed
WO-2011044501-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-04-19 WO disclosed
WO-2011044501-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO disclosed