SCHEMBL3284650

SCHEMBL3284650

C=CC(=O)OCCNCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.54
KDM4E B2RXH2 3/20 0.53
DRD4 P21917 4/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
KCNH2 Q12809 1/20 0.45
CCR6 P51684 1/20 0.45
PAX8 Q06710 1/20 0.45
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
MAOA P21397 1/20 0.44

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
Bromide SCHEMBL29161130 0.98 THRB (0.53) THRBKDM4EDRD4KMT2AMEN1
Hydrochloric Acid SCHEMBL28458294 0.98 THRB (0.53) THRBKDM4EDRD4KMT2AMEN1
Bromide SCHEMBL28835726 0.88 THRB (0.46) THRBKDM4EDRD4KMT2AMEN1
SCHEMBL11307950 0.86 THRB (0.56) THRBKMT2AMEN1TDP1KCNH2
SCHEMBL11313347 0.84 SIGMAR1 (0.54) THRBDRD4DRD2DRD3KCNH2
SCHEMBL12168929 0.84 EPHX1 (0.56) THRBLMNAPOLB
SCHEMBL11304858 0.82 SIGMAR1 (0.54) THRB
SCHEMBL26032423 0.82 HCAR2 (0.48) KDM4EDRD4KMT2AMEN1TDP1
SCHEMBL16092909 0.82 HCAR2 (0.51) KDM4EDRD4KMT2AMEN1TDP1
SCHEMBL11307117 0.81 SIGMAR1 (0.57) THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160487-A1 Polymeric Surface Treatment Compositions THE CLOROX COMPANY (US) 2010-06-24 US disclosed
US-7699941-B2 Polymeric surface treatment compositions THE CLOROX COMPANY (US) 2010-04-20 US disclosed
US-20070113353-A1 Polymeric Surface Treatment Compositions THE CLOROX COMPANY 2007-05-24 US disclosed
US-4006024-A Photosensitive compositions comprising a polyester-polyether block polymer ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1977-02-01 US disclosed
US-3960572-A Photosensitive compositions comprising a polyester-polyether block polymer ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1976-06-01 US disclosed