SCHEMBL6682886

SCHEMBL6682886

CNC(C)(C)c1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.68
NPC1 O15118 7/20 0.68
ALDH1A1 P00352 6/20 0.68
L3MBTL1 Q9Y468 3/20 0.68
CASP3 P42574 2/20 0.68
SENP8 Q96LD8 2/20 0.68
SENP7 Q9BQF6 2/20 0.68
SENP6 Q9GZR1 2/20 0.68
PLA2G1B P04054 1/20 0.68
NFKB1 P19838 1/20 0.68
NFKB2 Q00653 1/20 0.68
RELA Q04206 1/20 0.68
ATG4B Q9Y4P1 1/20 0.68
SMN1; SMN2 Q16637 7/20 0.60
MAPK1 P28482 5/20 0.60
LMNA P02545 2/20 0.60
ATM Q13315 2/20 0.60
PARG Q86W56 2/20 0.49
ELANE P08246 1/20 0.48
MAPT P10636 4/20 0.44

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
Phosphoric Acid SCHEMBL6687530 0.92 NPC1 (0.58) RAB9ANPC1ALDH1A1L3MBTL1CASP3
SCHEMBL6688355 0.81 NPC1 (0.64) RAB9ANPC1ALDH1A1L3MBTL1CASP3
SCHEMBL29402468 0.81 NPC1 (1.00) RAB9ANPC1ALDH1A1L3MBTL1CASP3
SCHEMBL36613 0.81 NPC1 (1.00) RAB9ANPC1ALDH1A1L3MBTL1CASP3
SCHEMBL8624460 0.79 NPC1 (0.75) RAB9ANPC1ALDH1A1L3MBTL1CASP3
SCHEMBL867392 0.79 NPC1 (0.96) RAB9ANPC1ALDH1A1L3MBTL1CASP3
SCHEMBL2401848 0.78 NPC1 (0.72) RAB9ANPC1ALDH1A1L3MBTL1CASP3
SCHEMBL28897199 0.76 NPC1 (0.70) RAB9ANPC1ALDH1A1L3MBTL1CASP3
SCHEMBL13439536 0.76 NPC1 (0.89) RAB9ANPC1ALDH1A1L3MBTL1CASP3
SCHEMBL187755 0.75 NPC1 (1.00) RAB9ANPC1ALDH1A1L3MBTL1CASP3

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
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