SCHEMBL8624460

SCHEMBL8624460

CC(C)(Br)c1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.75
RAB9A P51151 8/20 0.75
ALDH1A1 P00352 5/20 0.75
PLA2G1B P04054 3/20 0.75
ATG4B Q9Y4P1 3/20 0.75
CASP3 P42574 2/20 0.75
SENP8 Q96LD8 2/20 0.75
SENP7 Q9BQF6 2/20 0.75
SENP6 Q9GZR1 2/20 0.75
L3MBTL1 Q9Y468 2/20 0.75
NFKB1 P19838 1/20 0.75
NFKB2 Q00653 1/20 0.75
RELA Q04206 1/20 0.75
SMN1; SMN2 Q16637 6/20 0.66
MAPK1 P28482 4/20 0.66
LMNA P02545 4/20 0.66
ATM Q13315 2/20 0.66
ELANE P08246 1/20 0.53
PARG Q86W56 2/20 0.49
MAPT P10636 3/20 0.48

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
SCHEMBL36613 0.86 NPC1 (1.00) NPC1RAB9AALDH1A1PLA2G1BATG4B
SCHEMBL29402468 0.86 NPC1 (1.00) NPC1RAB9AALDH1A1PLA2G1BATG4B
SCHEMBL867392 0.84 NPC1 (0.96) NPC1RAB9AALDH1A1PLA2G1BATG4B
SCHEMBL2401848 0.82 NPC1 (0.72) NPC1RAB9AALDH1A1PLA2G1BATG4B
SCHEMBL28897199 0.81 NPC1 (0.70) NPC1RAB9AALDH1A1PLA2G1BATG4B
SCHEMBL13439536 0.80 NPC1 (0.89) NPC1RAB9AALDH1A1PLA2G1BATG4B
SCHEMBL187755 0.79 NPC1 (1.00) NPC1RAB9AALDH1A1PLA2G1BATG4B
SCHEMBL29482674 0.79 NPC1 (1.00) NPC1RAB9AALDH1A1PLA2G1BATG4B
SCHEMBL6682886 0.79 RAB9A (0.68) NPC1RAB9AALDH1A1PLA2G1BATG4B
SCHEMBL13433263 0.79 NPC1 (0.88) NPC1RAB9AALDH1A1PLA2G1BATG4B

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-0842112-A1 AQUEOUS PHASE PRODUCTION OF HYDROGEN PEROXIDE AND CATALYSTS FOR USE THEREIN Peroxco Inc. (CA) 1998-05-20 EP disclosed
US-5624543-A OXIDATION OF POLYMER-LINKED ANTHRAHYDROQUINONE PEROXCO INCORPORATED (CA) 1997-04-29 US disclosed
WO-1997005058-A1 AQUEOUS PHASE PRODUCTION OF HYDROGEN PEROXIDE AND CATALYSTS FOR USE THEREIN PEROXCO INC. (CA) 1997-02-13 WO disclosed