SCHEMBL27718364

SCHEMBL27718364

C=C(C)C(=O)OCC.C=CC(=O)OC(=O)C(=C)C.C=CC(=O)OCC1CO1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.35
MGLL Q99685 1/20 0.33
TSHR P16473 5/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.30
GLO1 Q04760 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
Ethylene SCHEMBL20476765 0.93 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4THRBMGLL
Acrylic Acid Ethyl Ester SCHEMBL4305301 0.89 ALDH1A1 (0.71) ALDH1A1TP53CYP3A4THRBMGLL
Acrylic Acid Ethyl Ester SCHEMBL5975237 0.88 ALDH1A1 (0.69) ALDH1A1TP53CYP3A4THRBMGLL
SCHEMBL5583484 0.88 ALDH1A1 (0.78) ALDH1A1TP53CYP3A4MGLLTSHR
Ethylene SCHEMBL28501951 0.86 ALDH1A1 (0.76) ALDH1A1TP53CYP3A4THRBMGLL
SCHEMBL27697890 0.86 ALDH1A1 (0.47) ALDH1A1TSHRHPGD
Acrylic Acid Ethyl Ester SCHEMBL11217002 0.85 ALDH1A1 (0.57) ALDH1A1TP53CYP3A4THRBMGLL
Acrylic Acid Ethyl Ester SCHEMBL932952 0.85 ALDH1A1 (0.64) ALDH1A1TP53CYP3A4THRBMGLL
Acrylic Acid Ethyl Ester SCHEMBL28129287 0.85 ALDH1A1 (0.64) ALDH1A1TP53CYP3A4THRBMGLL
SCHEMBL28175702 0.84 ALDH1A1 (0.63) ALDH1A1TP53CYP3A4THRBMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101137733-A Pressure sensitive adhesive composition as well as a method of applying it and a method for the preparation thereof NAT STARCH & CHEMICAL B V (NL) 2008-03-05 CN disclosed