SCHEMBL10933729

SCHEMBL10933729

C=C(C=CC(=O)O)C(=O)OCC.C=C(CO)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.47
ALDH1A1 P00352 6/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
GLO1 Q04760 1/20 0.34
CYP2D6 P10635 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
CYP2C19 P33261 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL11593392 0.93 HCAR2 (0.46) HCAR2ALDH1A1TSHRMAPTNPSR1
SCHEMBL40331 0.89 HCAR2 (0.57) HCAR2ALDH1A1TSHRMAPTNPSR1
1,1-Dichloroethene SCHEMBL6373416 0.84 HCAR2 (0.52) HCAR2ALDH1A1TSHRMAPTNPSR1
Butadiene SCHEMBL11410298 0.84 HCAR2 (0.52) HCAR2ALDH1A1TSHRMAPTNPSR1
Acrylic Acid SCHEMBL11216503 0.84 HCAR2 (0.52) HCAR2ALDH1A1TSHRMAPTNPSR1
SCHEMBL8823387 0.83 HCAR2 (0.47) HCAR2ALDH1A1TSHRMAPTNPSR1
Methacrylic Acid SCHEMBL3440748 0.83 HCAR2 (0.50) HCAR2ALDH1A1TSHRMAPTNPSR1
SCHEMBL11850029 0.83 HCAR2 (0.43) HCAR2ALDH1A1TSHRMAPTNPSR1
SCHEMBL36653 0.82
Maleic Acid SCHEMBL8953139 0.80 HCAR2 (0.55) HCAR2ALDH1A1TSHRMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0048447-B1 PROCESS FOR PREPARING SILYLATED ORGANIC POLYMERS AND THEIR USE FOR TREATING TEXTILE MATERIALS SWS Silicones Corporation (US) 1985-05-02 EP disclosed
US-4401698-A SILYLATED POLYETHERAMINES SWS SILICONES CORPORATION (US) 1983-08-30 US disclosed
US-4352917-A REACTING SILYLATED AMINOPOLYETHER WITH AN ACRYLIC ACID POLYMER SWS SILICONES CORPORATION (US) 1982-10-05 US disclosed
EP-0048447-A2 Process for preparing silylated organic polymers and their use for treating textile materials SWS Silicones Corporation (US) 1982-03-31 EP disclosed
US-4131550-A Polyester textile materials having improved durable soil release characteristics and process for producing same MILLIKEN RESEARCH CORPORATION (US) 1978-12-26 US disclosed
US-RE28914-E OIL AND WATER REPELLANT DEERING MILLIKEN RESEARCH CORPORATION (US) 1976-07-20 US disclosed