SCHEMBL2003322

SCHEMBL2003322

CC(Cl)CC(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
NPC1 O15118 6/20 0.63
RAB9A P51151 6/20 0.63
KMT2A Q03164 4/20 0.63
HTT P42858 3/20 0.63
NPSR1 Q6W5P4 2/20 0.63
POLB P06746 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.54
TP53 P04637 2/20 0.54
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.44
MITF O75030 1/20 0.44
PAX8 Q06710 3/20 0.42
GLA P06280 2/20 0.42
MAPT P10636 2/20 0.42
CACNA2D1 P54289 2/20 0.41
CACNA1B Q00975 2/20 0.41
CACNB1 Q02641 2/20 0.41
CACNA1C Q13936 2/20 0.41

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
SCHEMBL7980291 0.85 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL27675321 0.80 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL2345303 0.78 ALDH1A1 (1.00) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL27419062 0.77 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL5250483 0.75 ALDH1A1 (0.70) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL28172665 0.75 NPSR1 (0.52) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL9471241 0.75 NPSR1 (0.52) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL9138844 0.75 NPSR1 (0.52) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL2781437 0.74 ALDH1A1 (0.63) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL15742819 0.74 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1857471-B1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER MITSUI CHEMICALS INC (JP) 2013-04-24 EP disclosed
US-7960305-B2 a mixture of a phosphazenium compound such as tetrakis[tris(dimethylamino)phosphoranylideneamino]phosphonium chloride, transition metal halides and an organic halogen compound as an activator, used for addition homo/copolymerization; living polymers MITSUI CHEMICALS, INC. (JP) 2011-06-14 US disclosed
US-20080177014-A1 Polymerization Catalyst Composition and Process for Production of Polymer MITSUI CHEMICALS, INC. (JP) 2008-07-24 US disclosed
EP-1857471-A1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER Mitsui Chemicals, Inc. (JP) 2007-11-21 EP disclosed