SCHEMBL8026690

SCHEMBL8026690

C=CCOOC(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SOAT1 P35610 1/20 0.44
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CYP3A4 P08684 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
GLO1 Q04760 1/20 0.32
TRPA1 O75762 1/20 0.32
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 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
SCHEMBL1920830 0.85 CYP3A4 (0.41) ALDH1A1TSHRHSD17B10GAACYP3A4
SCHEMBL9447325 0.83 TSHR (0.43) ALDH1A1SOAT1TSHRLMNAHSD17B10
SCHEMBL8021110 0.82 CYP3A4 (0.35) ALDH1A1TSHRHSD17B10CYP3A4TDP1
SCHEMBL7941741 0.81 TSHR (0.52) ALDH1A1TSHRLMNACYP3A4HCAR2
SCHEMBL44777 0.80
SCHEMBL8766364 0.78 ALDH1A1 (0.59) ALDH1A1SOAT1TSHRLMNAHSD17B10
SCHEMBL809407 0.77
Bicarbonate SCHEMBL25420518 0.77 ALDH1A1 (0.56) ALDH1A1SOAT1TSHRLMNAHSD17B10
SCHEMBL7096132 0.77 SOAT1 (0.65) ALDH1A1SOAT1TSHRLMNAHSD17B10
Propene SCHEMBL25213417 0.77 ALDH1A1 (0.56) ALDH1A1SOAT1TSHRLMNAHSD17B10

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-6156889-A Reagent useful for cleaving a protected functional group RHODIA CHIMIE (FR) 2000-12-05 US disclosed