SCHEMBL6212666

SCHEMBL6212666

CC/C=C(\C)C(=O)OOC(=O)COC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FAAH O00519 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL6212684 1.00 ALDH1A1 (0.35) ALDH1A1LMNAHSD17B10FAAHTSHR
SCHEMBL6212674 0.84 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10FAAHTSHR
SCHEMBL6935317 0.81 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10
SCHEMBL7365892 0.78 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10FAAHTSHR
SCHEMBL216581 0.78 MGAM (0.41)
SCHEMBL20357806 0.78 MGAM (0.41)
SCHEMBL11213796 0.78
SCHEMBL630011 0.78 MGAM (0.41)
Acetaldehyde SCHEMBL630012 0.76 ALDH1A1 (0.30) ALDH1A1LMNAHSD17B10
SCHEMBL11299150 0.73 ALOX15 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509302-A1 SOLID MYCOCTOXIN CARRIERS Austria Wirtschaftsservice Gesellschaft mit beschränkter Haftung (AT) 2005-03-02 EP disclosed
WO-2003101580-A1 SOLID MYCOCTOXIN CARRIERS Austria Wirtschaftsservice Gesellschaft mit beschränkter Haftung (AT) 2003-12-11 WO disclosed