SCHEMBL2010028

SCHEMBL2010028

OCCC(CCl)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.46
GABBR2 O75899 2/20 0.38
GABBR1 Q9UBS5 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.37
HRH1 P35367 2/20 0.37
LMNA P02545 1/20 0.35
HTR2A P28223 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RIPK1 Q13546 1/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1308070 0.86 TRPA1 (0.52) TRPA1GABBR2GABBR1SMN1; SMN2CYP2D6
SCHEMBL28576347 0.82 TRPA1 (0.42) TRPA1GABBR2GABBR1SMN1; SMN2CYP2D6
SCHEMBL8032906 0.82 TRPA1 (0.42) TRPA1GABBR2GABBR1SMN1; SMN2CYP2D6
SCHEMBL8274952 0.82 TRPA1 (0.48) TRPA1GABBR2GABBR1SMN1; SMN2CYP2D6
SCHEMBL1507699 0.82 TRPA1 (0.48) TRPA1GABBR2GABBR1SMN1; SMN2CYP2D6
SCHEMBL1546696 0.82 TRPA1 (0.48) TRPA1GABBR2GABBR1SMN1; SMN2CYP2D6
SCHEMBL5598365 0.81 TSHR (0.48) GABBR2GABBR1SMN1; SMN2CYP2D6CYP1A2
SCHEMBL11223891 0.79 GABBR2 (0.40) TRPA1GABBR2GABBR1
SCHEMBL8394709 0.78 TRPA1 (0.46) TRPA1GABBR2GABBR1SMN1; SMN2CYP2D6
SCHEMBL9172960 0.78 TRPA1 (0.46) TRPA1GABBR2GABBR1SMN1; SMN2CYP2D6

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