SCHEMBL7895027

SCHEMBL7895027

CC(=O)CC1CCCCC1CC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPA1 O75762 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL21974894 0.91 CA1 (0.35) EPHX1CA1CA2CA4ALDH1A1
SCHEMBL19336875 0.85 CA1 (0.50) EPHX1CA1CA2CA4
SCHEMBL12241914 0.85 CA1 (0.50) EPHX1CA1CA2CA4
SCHEMBL24260242 0.84 THRB (0.38) EPHX1CA1CA2CA4KMT2A
SCHEMBL13417152 0.84 CA1 (0.48) EPHX1CA1CA2CA4CES2
SCHEMBL13010315 0.83 CYP1A2 (0.42) EPHX1CA1CA2CA4CES2
SCHEMBL6655316 0.82 PEPD (0.38) EPHX1KMT2ASMN1; SMN2
SCHEMBL7786723 0.82 CYP2D6 (0.37) ALDH1A1KMT2A
SCHEMBL14571159 0.80 EPHX1 (0.40) EPHX1CA1CA2CA4ALDH1A1
SCHEMBL14429810 0.80 ALDH1A1 (0.31) EPHX1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6184341-B1 TREATING THE COPOLYMERS WITH A MONOCARBOXYLIC ACID, PACKAGING FOODSTUFFS, ANTIOXIDANT FUNCTION WITHOUT THE NEED FOR THE ADDITION OF ANTIOXIDANT ADDITIVES, AND LASTLY ARE READILY USABLE. FINA RESEARCH, S.A. (BE) 2001-02-06 US disclosed
US-6150463-A USING ALKALI METAL CATALYST; ENDCAPPING WITH ALCOHOLATE FINA RESEARCH, S.A. (BE) 2000-11-21 US disclosed
EP-0669345-B1 Process for the treatment of polymers of the vinylaromatic-conjugated diene type FINA RESEARCH (BE) 2000-08-02 EP disclosed
US-6048961-A DECOLORING BUTADIENE-STYRENE COPOLYMER IN THE PRESENCE OF ALKALI METAL CATALYST FINA RESEARCH, S.A. (BE) 2000-04-11 US disclosed
EP-0479754-B1 Process for the decolouration of resinous polymers of the vinyl aromatic/conjugated diene type FINA RESEARCH (BE) 1998-08-19 EP disclosed
EP-0669345-A1 Process for the treatment of resinous polymers of the vinylaromatic-conjugated diene type FINA RESEARCH S.A. (BE) 1995-08-30 EP disclosed
EP-0479754-A1 Process for the decolouration of resinous polymers of the vinyl aromatic/conjugated diene type FINA RESEARCH S.A. (BE) 1992-04-08 EP disclosed