SCHEMBL9169752

SCHEMBL9169752

CC(=O)CC(CC(C)=O)OC(CC(C)=O)CC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
HRH1 P35367 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPA1 O75762 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
CA2 P00918 1/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 2/20 0.30
SLC15A2 Q16348 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL28648655 0.78 CA2 (0.39) ALDH1A1TDP1CA2
SCHEMBL14269783 0.75 ALDH1A1 (0.44) ALDH1A1TDP1LMNATSHR
SCHEMBL1921246 0.73 ALDH1A1 (0.55) ALDH1A1TDP1TRPA1MGAMGAA
SCHEMBL1772274 0.73
SCHEMBL10110049 0.73
SCHEMBL10110030 0.73
SCHEMBL10110046 0.73
SCHEMBL16440895 0.71
SCHEMBL13597717 0.71 LMNA (0.42) ALDH1A1TDP1MEN1CYP1A2KMT2A
SCHEMBL14093837 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0402466-B1 PROCESS FOR PRODUCING METHACRYLIC RESIN MOLDING KURARAY CO (JP) 1995-05-03 EP disclosed
US-5135981-A Mar, weather adn heat resistance; polymerizing reaction product of methacryloyloxy silane and silica sol with crosslinking alkyl methacrylates til desired shape formed KURARAY CO., LTD. (JP) 1992-08-04 US disclosed