Bromoenol Lactone

Bromoenol Lactone

SCHEMBL3302140

O=C1O/C(=C/Br)CC[C@@H]1c1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G6 O60733 4/20 1.00
MAPK1 P28482 3/20 1.00
ALDH1A1 P00352 2/20 1.00
MAPT P10636 2/20 1.00
HPGD P15428 2/20 1.00
BLM P54132 2/20 1.00
NPSR1 Q6W5P4 2/20 1.00
FAAH O00519 1/20 1.00
NPC1 O15118 1/20 1.00
GMNN O75496 1/20 1.00
LMNA P02545 1/20 1.00
MTOR P42345 1/20 1.00
RAB9A P51151 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
TRPC5 Q9UL62 1/20 1.00
TRPC6 Q9Y210 1/20 1.00
TP53 P04637 1/20 1.00
CYP3A4 P08684 1/20 1.00
PKM P14618 1/20 1.00
ALOX15 P16050 1/20 1.00

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
Bromoenol Lactone SCHEMBL2060074 1.00 PLA2G6 (1.00) PLA2G6MAPK1ALDH1A1MAPTHPGD
(S)-Bromoenol Lactone SCHEMBL3298296 1.00 PLA2G6 (1.00) PLA2G6MAPK1ALDH1A1MAPTHPGD
(S)-Bromoenol Lactone SCHEMBL29693289 1.00 PLA2G6 (1.00) PLA2G6MAPK1ALDH1A1MAPTHPGD
Bromoenol Lactone SCHEMBL29370529 1.00 PLA2G6 (1.00) PLA2G6MAPK1ALDH1A1MAPTHPGD
Bromoenol Lactone SCHEMBL2060001 1.00 PLA2G6 (1.00) PLA2G6MAPK1ALDH1A1MAPTHPGD
Bromoenol Lactone SCHEMBL2060073 1.00 PLA2G6 (1.00) PLA2G6MAPK1ALDH1A1MAPTHPGD
Bromoenol Lactone SCHEMBL3302144 1.00 PLA2G6 (1.00) PLA2G6MAPK1ALDH1A1MAPTHPGD
SCHEMBL3296491 0.89 PLA2G6 (1.00) PLA2G6MAPK1ALDH1A1MAPTHPGD
SCHEMBL3296494 0.89 PLA2G6 (1.00) PLA2G6MAPK1ALDH1A1MAPTHPGD
SCHEMBL3296498 0.89 PLA2G6 (1.00) PLA2G6MAPK1ALDH1A1MAPTHPGD

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-7741344-B2 Process for preparing purified S-BEL and R-BEL and compositions thereof WASHINGTON UNIVERSITY IN ST. LOUIS (US) 2010-06-22 US disclosed
US-20050181496-A1 Process for preparing purified s-bel and r-bel and compositions thereof WASHINGTON UNIVERSITY 2005-08-18 US disclosed
WO-2003079996-A2 PROCESS FOR PREPARING PURIFIED S-BEL AND R-BEL AND COMPOSITIONS THEREOF WASHINGTON UNIVERSITY IN ST. LOUIS (US) 2003-10-02 WO disclosed