SCHEMBL10009232

SCHEMBL10009232

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GLO1 Q04760 1/20 0.40
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
MAPT P10636 1/20 0.36
MMP8 P22894 1/20 0.36
TRPA1 O75762 1/20 0.36
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34

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
SCHEMBL10009228 1.00 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL10009989 0.94 SOAT1 (0.39) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL10009994 0.94 SOAT1 (0.39) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL10008951 0.90 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL10008952 0.90 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL10010421 0.87 GLO1 (0.39) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL10010418 0.87 GLO1 (0.39) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL10012068 0.87 MMP8 (0.40) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL10012063 0.87 MMP8 (0.40) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL10011813 0.87 FAAH (0.39) ALDH1A1LMNAHSD17B10NPSR1GLO1

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
US-20120172551-A1 SOLID CATALYST FOR PROPYLENE POLYMERIZATION AND A METHOD FOR PREPARATION OF POLYPROPYLENE USING THE SAME SAMSUNG TOTAL PETROCHEMICALS CO., LTD. (KR) 2012-07-05 US disclosed