SCHEMBL6340561

SCHEMBL6340561

COCCOCCOCCOCCOc1cccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.61
TTR P02766 1/20 0.46
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 3/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
USP2 O75604 1/20 0.44
DUSP3 P51452 1/20 0.44
EGFR P00533 2/20 0.43
PIM1 P11309 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
AR P10275 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MITF O75030 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
SCHEMBL6334031 1.00 KCNA3 (0.61) KCNA3TTRRAB9ASMN1; SMN2NPC1
SCHEMBL6341126 1.00 KCNA3 (0.61) KCNA3TTRRAB9ASMN1; SMN2NPC1
SCHEMBL30860097 0.95 KCNA3 (0.54) KCNA3TTRRAB9ASMN1; SMN2NPC1
SCHEMBL6340784 0.95 KCNA3 (0.66) KCNA3TTRRAB9ASMN1; SMN2NPC1
SCHEMBL15302481 0.95 KCNA3 (0.54) KCNA3TTRRAB9ASMN1; SMN2NPC1
SCHEMBL19881689 0.92 KCNA3 (0.53) KCNA3TTRRAB9ASMN1; SMN2NPC1
SCHEMBL6333924 0.85 KCNA3 (0.61) KCNA3TTRRAB9ASMN1; SMN2NPC1
SCHEMBL6334029 0.85 KCNA3 (0.61) KCNA3TTRRAB9ASMN1; SMN2NPC1
SCHEMBL6334990 0.85 KCNA3 (0.61) KCNA3TTRRAB9ASMN1; SMN2NPC1
SCHEMBL11795880 0.85 KCNA3 (0.45) KCNA3TTRRAB9ASMN1; SMN2MEN1

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