SCHEMBL6691893

SCHEMBL6691893

CCOC(=O)C(CC)=C(CC)CC.[PbH2]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.44
ALDH1A1 P00352 6/20 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
EGLN1 Q9GZT9 1/20 0.38
MAPT P10636 3/20 0.36
TRPA1 O75762 1/20 0.36
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C9 P11712 1/20 0.33

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
SCHEMBL800030 0.98 SOAT1 (0.46) SOAT1ALDH1A1LMNAHSD17B10NPSR1
Ammonia Solution, Strong SCHEMBL11056611 0.95 SOAT1 (0.44) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL17616389 0.86 SOAT1 (0.41) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL11146140 0.85 SOAT1 (0.52) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL304714 0.85 SOAT1 (0.52) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL304712 0.85 SOAT1 (0.52) SOAT1ALDH1A1LMNAHSD17B10NPSR1
Ammonia Solution, Strong SCHEMBL4866860 0.82 SOAT1 (0.50) SOAT1ALDH1A1LMNAHSD17B10NPSR1
Ammonia Solution, Strong SCHEMBL29049234 0.82 SOAT1 (0.50) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL17222827 0.82 SOAT1 (0.50) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL1207383 0.81 SOAT1 (0.37) SOAT1ALDH1A1LMNAHSD17B10NPSR1

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-20040033342-A1 Material with ion formation capability HSU, YI-TING (TW) 2004-02-19 US disclosed