SCHEMBL9439802

SCHEMBL9439802

CCOC(=O)C(COC(C)=O)OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
LMNA P02545 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 3/20 0.39
GLO1 Q04760 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
SOAT1 P35610 1/20 0.34
PRKCA P17252 2/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
TRPA1 O75762 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
SCHEMBL6685614 0.83 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10TDP1TSHR
SCHEMBL10643598 0.81 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10TDP1TSHR
SCHEMBL13967844 0.81 TDP1 (0.48) ALDH1A1LMNAHSD17B10TDP1TSHR
SCHEMBL7276080 0.81 TDP1 (0.48) ALDH1A1LMNAHSD17B10TDP1TSHR
SCHEMBL29104740 0.80 TDP1 (0.52) ALDH1A1LMNAHSD17B10TDP1TSHR
SCHEMBL31469524 0.78 TDP1 (0.50) ALDH1A1LMNAHSD17B10TDP1TSHR
SCHEMBL440977 0.78 TDP1 (0.50) ALDH1A1LMNAHSD17B10TDP1TSHR
SCHEMBL10010403 0.78 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10TDP1TSHR
Acetic Acid SCHEMBL17267836 0.78 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10TDP1TSHR
SCHEMBL7399669 0.78 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10TDP1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5278148-A Hypotensive agents HOFFMANN-LA ROCHE INC. (US) 1994-01-11 US disclosed
US-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 US disclosed
US-5140011-A Hypotensive agents HOFFMANN-LA ROCHE, INC. (US) 1992-08-18 US disclosed