SCHEMBL8587983

SCHEMBL8587983

CCOC(=O)P(=O)(O)OOC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 2/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
TRPA1 O75762 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.31
PPARD Q03181 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL28798940 0.82 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL8587980 0.80 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28323118 0.77 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL1378510 0.74
SCHEMBL8660377 0.72 MGAM (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28798792 0.72 LPAR3 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28471443 0.72 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28467229 0.72 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL2243662 0.70 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL11598711 0.70 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10ALOX15MGAM

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-1998038202-A1 ANTIVIRAL PHOSPHONATE PRODRUGS OF NUCLEOSIDES AND NUCLEOSIDE ANALOGUES DANA-FARBER CANCER INSTITUTE (US) 1998-09-03 WO disclosed