SCHEMBL3678714

SCHEMBL3678714

CCCCCCCCCCCCCCC(Cl)C(Cl)CC(=O)CC(=O)c1ccccc1.CCCCCCCCCCCCCCCC(C)CC(=O)CC(=O)c1ccccc1.CCCCCCCCCCCCCCCCC(=O)CC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.41
HDAC3 O15379 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ASAH1 Q13510 1/20 0.40
ACER2 Q5QJU3 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8961577 0.94 CES2 (0.45) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL5275294 0.90 NAAA (0.44) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL3678718 0.90 L3MBTL1 (0.40) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL5271541 0.87 NAAA (0.47) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL3676102 0.87 NAAA (0.47) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL8961584 0.86 L3MBTL1 (0.44) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL875304 0.79 CES1 (0.60) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL599772 0.79 CES1 (0.60) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL98957 0.79 CES1 (0.60) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL599568 0.79 CES1 (0.60) HDAC8HDAC3HDAC6HDAC1HDAC2

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 13 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-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
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
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