SCHEMBL6335463

SCHEMBL6335463

COCCOCCOCCOCCOc1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
CHRNA7 P36544 1/20 0.49
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
POLB P06746 1/20 0.45
DNMT1 P26358 1/20 0.45
RAD52 P43351 1/20 0.45
PTPN1 P18031 1/20 0.43
ADORA2A P29274 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
SCHEMBL6334175 1.00 MAPT (0.49) MAPTKMT2ACHRNA7MEN1NPC1
SCHEMBL6340594 1.00 MAPT (0.49) MAPTKMT2ACHRNA7MEN1NPC1
SCHEMBL6331948 0.95 MAPT (0.53) MAPTKMT2ACHRNA7MEN1NPC1
SCHEMBL6334182 0.85 ALK (0.50) MAPTKMT2ACHRNA7MEN1NPC1
SCHEMBL6332215 0.85 ALK (0.50) MAPTKMT2ACHRNA7MEN1NPC1
SCHEMBL6333882 0.85 ALK (0.50) MAPTKMT2ACHRNA7MEN1NPC1
SCHEMBL31070279 0.85 ALK (0.50) MAPTKMT2ACHRNA7MEN1NPC1
SCHEMBL13165957 0.81 MAPT (0.54) MAPTKMT2ACHRNA7MEN1NPC1
SCHEMBL23051433 0.81 MAPT (0.60) MAPTKMT2ACHRNA7MEN1NPC1
SCHEMBL18015983 0.81 MAPT (0.69) MAPTKMT2ACHRNA7MEN1NPC1

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 2 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
US-20040116536-A1 Novel selective algaecides for control of cyanochloronta UNIVERSITY OF MISSISSIPPI, THE 2004-06-17 US disclosed