SCHEMBL4401452

SCHEMBL4401452

C=C(C)C(=O)OCCNC(C)(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
THRB P10828 1/20 0.38
TSHR P16473 2/20 0.37
DPP4 P27487 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ELANE P08246 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36
SCN1A P35498 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
CHRM2 P08172 1/20 0.36

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
Iodide SCHEMBL3858235 0.99 HTT (0.40) HTTTDP1POLBAPEX1THRB
Bromide SCHEMBL3858373 0.99 HTT (0.40) HTTTDP1POLBAPEX1THRB
Hydrochloric Acid SCHEMBL166561 0.99 HTT (0.40) HTTTDP1POLBAPEX1THRB
Sulfuric Acid SCHEMBL2790961 0.95 HTT (0.38) HTTTDP1POLBAPEX1THRB
SCHEMBL3859623 0.91 HTT (0.36) HTTTDP1POLBAPEX1THRB
SCHEMBL2880890 0.80 THRB (0.50) HTTTDP1THRBTSHRDPP4
Hydrochloric Acid SCHEMBL718579 0.79 THRB (0.49) HTTTDP1THRBTSHRDPP4
Iodide SCHEMBL3861985 0.79 THRB (0.49) HTTTDP1THRBTSHRDPP4
Bromide SCHEMBL3857939 0.79 THRB (0.49) HTTTDP1THRBTSHRDPP4
Methacrylic Acid SCHEMBL2349705 0.78 KDM4E (0.42) HTTPOLBDPP4ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937733-B1 PROCESS FOR PREPARING AN AQUEOUS DISPERSION OF A QUATERNARY AMMONIUM SALT CONTAINING VINYL COPOLYMER BOSTIK INC (US) 2009-12-30 EP claimed
EP-1989256-A1 PROCESS OF CONTROLLED FREE-RADICAL POLYMERIZATION OR COPOLYMERIZATION OF ONE OR MORE MONOMERS IN THE PRESENCE OF AN ALKOXYAMINE INITIATOR ARKEMA FRANCE (FR) 2008-11-12 EP disclosed
EP-1989257-A1 USE OF PARTICULAR POLYMERS OR COPOLYMERS AS SURFACTANTS FOR STABILIZING LATICES ARKEMA FRANCE (FR) 2008-11-12 EP disclosed
EP-1951772-A2 METHOD FOR CONTROLLED FREE RADICAL POLYMERIZATION OR COPOLYMERIZATION OF METHACRYLIC AND/OR METHACRYLATE MONOMERS OR EXCLUSIVELY METHACRYLIC AND/OR METHACRYLATE COPOLYMERS ARKEMA FRANCE (FR) 2008-08-06 EP disclosed
EP-1913044-A2 METHOD FOR PREPARING A POLYMERIC MATERIAL INCLUDING A MULTIBLOCK COPOLYMER PREPARED BY CONTROLLED FREE-RADICAL POLYMERISATION Arkema France (FR) 2008-04-23 EP disclosed
WO-2007099168-A1 Use of PARTICULAR POLYMERS OR COPOLYMERS AS SURFACTANTS FOR STABILIZING LATICES ARKEMA FRANCE (FR) 2007-09-07 WO disclosed
WO-2007099167-A1 PROCESS OF CONTROLLED FREE-RADICAL POLYMERIZATION OR COPOLYMERIZATION OF ONE OR MORE MONOMERS IN THE PRESENCE OF AN ALKOXYAMINE INITIATOR ARKEMA FRANCE (FR) 2007-09-07 WO disclosed
WO-2007060374-A2 METHOD FOR CONTROLLED FREE RADICAL POLYMERIZATION OR COPOLYMERIZATION OF METHACRYLIC AND/OR METHACRYLATE MONOMERS FOR PRODUCING METHACRYLIC OR METHACRYLATE POLYMERS OR EXCLUSIVELY METHACRYLIC AND/OR METHACRYLATE COPOLYMERS ARKEMA FRANCE (FR) 2007-05-31 WO disclosed
WO-2007017614-A2 METHOD FOR PREPARING A POLYMERIC MATERIAL INCLUDING A MULTIBLOCK COPOLYMER PREPARED BY CONTROLLED FREE-RADICAL POLYMERISATION ARKEMA FRANCE (FR) 2007-02-15 WO disclosed