SCHEMBL16830100

SCHEMBL16830100

CCOC(=O)C(C)=CP(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.45
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
MAPT P10636 2/20 0.37
TRPA1 O75762 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 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
SCHEMBL5059056 0.84 HCAR2 (0.37) GLO1ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL5057254 0.81 ALDH1A1 (0.48) ALDH1A1NPSR1MAPTTSHR
Phosphoric Acid SCHEMBL29128918 0.81 GLO1 (0.47) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL28558998 0.80 TSHR (0.36) TSHR
SCHEMBL5030295 0.80 GLO1 (0.42) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL5050851 0.78 TSHR (0.54) ALDH1A1NPSR1TSHR
SCHEMBL27647806 0.77 THRB (0.50) ALDH1A1TSHR
SCHEMBL27819712 0.77 GLO1 (0.37) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL1971252 0.76 GLO1 (0.42) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL10959518 0.76 GLO1 (0.42) GLO1ALDH1A1LMNAHSD17B10NPSR1

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
WO-2015094583-A1 AUTOMATIC DISHWASHING DETERGENT ROHM AND HAAS COMPANY (US) 2015-06-25 WO disclosed