SCHEMBL3673851

SCHEMBL3673851

CCCCCCCCCCCC(CC(=O)CC(=O)c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.43
CES2 O00748 3/20 0.43
NAAA Q02083 1/20 0.42
HAO1 Q9UJM8 1/20 0.41
PRSS1 P07477 2/20 0.40
CTSG P08311 2/20 0.40
CTRB1 P17538 2/20 0.40
CMA1 P23946 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPN1 P18031 1/20 0.39
ERCC5 P28715 1/20 0.39

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
SCHEMBL3676102 0.83 NAAA (0.47) CES1CES2NAAAHAO1PRSS1
SCHEMBL5271541 0.83 NAAA (0.47) CES1CES2NAAAHAO1PRSS1
SCHEMBL11098360 0.79 HDAC8 (0.53)
SCHEMBL11391766 0.79 KMT2A (0.57) NAAAPRSS1CTSGCTRB1CMA1
SCHEMBL11389509 0.79 KMT2A (0.57) NAAAPRSS1CTSGCTRB1CMA1
SCHEMBL5275294 0.78 NAAA (0.44) CES1CES2NAAAHAO1PRSS1
SCHEMBL28879072 0.78 NAAA (0.62) NAAAPRSS1CTSGCTRB1CMA1
SCHEMBL27469108 0.78 NAAA (0.62) NAAAPRSS1CTSGCTRB1CMA1
SCHEMBL3673856 0.77 L3MBTL1 (0.53) CES1CES2KMT2AMAPTTDP1
SCHEMBL4575502 0.76 ZDHHC2 (0.41) CNR2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349823-B1 PROCESS FOR BASE-PROMOTED CONDENSATION REACTIONS AND BASE REAGENT THEREFOR CHEMTURA CORP (US) 2007-11-21 EP claimed
EP-1349823-A1 PROCESS FOR BASE-PROMOTED CONDENSATION REACTIONS AND BASE REAGENT THEREFOR Crompton Corporation (US) 2003-10-08 EP claimed
WO-2002055466-A1 PROCESS FOR BASE-PROMOTED CONDENSATION REACTIONS AND BASE REAGENT THEREFOR CROMPTON CORPORATION (US) 2002-07-18 WO claimed
US-6410795-B1 FORMING DIKETONES CROMPTON CORPORATION 2002-06-25 US claimed
EP-1877481-B1 STABILISER COMPOSITION FOR HALIDE-CONTAINING POLYMERS SUN ACE KAKOH PTE LTD (SG) 2016-02-17 EP disclosed
US-7842743-B2 Stabiliser composition for halide-containing polymers SUN ACE KAKOH (PTE.) LTD. (SG) 2010-11-30 US disclosed
US-20090030123-A1 STABILISER COMPOSITION FOR HALIDE-CONTAINING POLYMERS SUN ACE KAKOH (PTE.) LTD. (SG) 2009-01-29 US disclosed
EP-1877481-A2 STABILISER COMPOSITION FOR HALIDE-CONTAINING POLYMERS Sun Ace Kakoh (Pte.) Ltd. (SG) 2008-01-16 EP disclosed
EP-1349823-B1 PROCESS FOR BASE-PROMOTED CONDENSATION REACTIONS AND BASE REAGENT THEREFOR CHEMTURA CORP (US) 2007-11-21 EP disclosed
WO-2006110106-A1 STABILISER COMPOSITION FOR CHLORINE-CONTAINING POLYMERS SUN ACE KAKOK (PTE.) LTD. (SG) 2006-10-19 WO disclosed
WO-2006110112-A2 STABILISER COMPOSITION FOR HALIDE-CONTAINING POLYMERS SUN ACE KAKOH (PTE.) LTD. (SG) 2006-10-19 WO disclosed
EP-1349823-A1 PROCESS FOR BASE-PROMOTED CONDENSATION REACTIONS AND BASE REAGENT THEREFOR Crompton Corporation (US) 2003-10-08 EP disclosed
WO-2002055466-A1 PROCESS FOR BASE-PROMOTED CONDENSATION REACTIONS AND BASE REAGENT THEREFOR CROMPTON CORPORATION (US) 2002-07-18 WO disclosed
US-6410795-B1 FORMING DIKETONES CROMPTON CORPORATION 2002-06-25 US disclosed
EP-0507013-B1 Process for the preparation of aromatic beta-diketones WITCO CORP (US) 1996-02-07 EP disclosed
EP-0507013-A1 Process for the preparation of aromatic beta-diketones WITCO CORPORATION (US) 1992-10-07 EP disclosed
US-5015777-A Reaction of an acetophenone and an aliphatic ester or an ester of benzoic acid in the presence of sodium alkoxide condensation agent in an aromatic solvent WITCO CORPORATION (US) 1991-05-14 US disclosed