SCHEMBL7083072

SCHEMBL7083072

C=CCOC(=O)C(=C)CC(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.36
ALDH1A1 P00352 4/20 0.36
TRPA1 O75762 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
NPSR1 Q6W5P4 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
CYP2D6 P10635 1/20 0.33
GLO1 Q04760 1/20 0.32

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
SCHEMBL27545604 0.93 TSHR (0.46) GAAMGAMSIMGAM2TSHR
SCHEMBL216622 0.89 TSHR (0.43) GAAMGAMSIMGAM2TSHR
Phosphine SCHEMBL27976349 0.87 TSHR (0.42) GAATSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL13133181 0.85 TSHR (0.41) GAAMGAMSIMGAM2TSHR
SCHEMBL60515 0.85 GAA (0.61) GAAMGAMSIMGAM2TSHR
Hydrochloric Acid SCHEMBL10882428 0.83 GAA (0.58) GAAMGAMSIMGAM2TSHR
SCHEMBL8939889 0.83 GAA (0.65) GAAMGAMSIMGAM2TSHR
SCHEMBL28878625 0.83 GAA (0.58) GAAMGAMSIMGAM2TSHR
SCHEMBL27862456 0.82 GAA (0.48) GAAMGAMSIMGAM2TSHR
Sulfuric Acid SCHEMBL9638296 0.82 TSHR (0.39) GAATSHRSMN1; SMN2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1281975-C Composition for optical material, optical material and plastic lens NOF CORP (JP) 2006-10-25 CN disclosed
CN-1461417-A Composition for optical material, optical material and plastic lens NOF CORP (JP) 2003-12-10 CN disclosed
EP-1331494-A1 COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND PLASTIC LENS NOF CORPORATION (JP) 2003-07-30 EP disclosed
US-4663385-A Process for thickening with copolymers of alkyl poly (oxyalkylene) itaconic di-esters ROHM AND HAAS (US) 1987-05-05 US disclosed