SCHEMBL7399669

SCHEMBL7399669

CCOC(=O)[C@H](CCO)OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GLO1 Q04760 1/20 0.35
CPB2 Q96IY4 1/20 0.35
TSHR P16473 3/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SOAT1 P35610 1/20 0.33
PRKCA P17252 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PKM P14618 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
SCHEMBL7399674 1.00 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10GLO1CPB2
SCHEMBL10643598 0.83 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10GLO1TSHR
SCHEMBL1657391 0.82 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10TSHRMGAM
SCHEMBL6685614 0.81 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10GLO1TSHR
SCHEMBL1268708 0.81 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10GLO1CPB2
SCHEMBL22086836 0.80 TSHR (0.50) ALDH1A1LMNAHSD17B10TSHRALOX15
Acetic Acid SCHEMBL17267836 0.80 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10GLO1TSHR
SCHEMBL18675838 0.79 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10GLO1CPB2
SCHEMBL9439802 0.78 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10GLO1TSHR
SCHEMBL14595014 0.77 TSHR (0.39) LMNATSHRALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535042-B1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1995-03-29 EP disclosed
US-5348978-A Angiotensin converting enzyme inhibitors FISONS PLC (GB) 1994-09-20 US disclosed
EP-0535042-A1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS. FISONS PLC (GB) 1993-04-07 EP disclosed
WO-1992000276-A2 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1992-01-09 WO disclosed