SCHEMBL6334182

SCHEMBL6334182

O=C1c2ccccc2C(=O)c2cc(OCCOCCOCCOCCO)ccc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.50
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ADORA2A P29274 1/20 0.46
CHRNA7 P36544 1/20 0.46
ALDH2 P05091 1/20 0.45
PDK2 Q15119 1/20 0.44
APP P05067 1/20 0.43

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
SCHEMBL31070279 1.00 ALK (0.50) ALKMAPTKMT2AMEN1NPC1
SCHEMBL6332215 1.00 ALK (0.50) ALKMAPTKMT2AMEN1NPC1
SCHEMBL6333882 1.00 ALK (0.50) ALKMAPTKMT2AMEN1NPC1
SCHEMBL5605061 0.95 MAPT (0.51) ALKMAPTKMT2AMEN1NPC1
SCHEMBL23370784 0.92 MAPT (0.55) ALKMAPTKMT2AMEN1NPC1
SCHEMBL19126084 0.91 ALDH1A1 (0.53) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL26311961 0.88 MAPT (0.49) ALKMAPTKMT2AMEN1NPC1
SCHEMBL11604758 0.85 MAPT (0.57) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL6340594 0.85 MAPT (0.49) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL6335463 0.85 MAPT (0.49) MAPTKMT2AMEN1NPC1ALDH1A1

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
US-6949250-B2 Selective algaecides for control of cyanochloronta THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2005-09-27 US disclosed
WO-2004060061-A1 NOVEL SELECTIVE ALGAECIDES FOR CONTROL OF CYANOCHLORONTA THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2004-07-22 WO disclosed
US-20040116536-A1 Novel selective algaecides for control of cyanochloronta UNIVERSITY OF MISSISSIPPI, THE 2004-06-17 US disclosed