SCHEMBL12986940

SCHEMBL12986940

CC(=O)CCNC(C)(C)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.36
SLC15A2 Q16348 1/20 0.36
PAOX Q6QHF9 3/20 0.33
ACHE P22303 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
PIK3CD O00329 1/20 0.30
GAA P10253 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
SCHEMBL13993954 0.82 ALDH1A1 (0.45) ALDH1A1LMNASLC15A2PAOXACHE
SCHEMBL11512604 0.80 ADRA1A (0.40) ALDH1A1LMNASLC15A2KDM4EKDM6B
SCHEMBL7084623 0.74 ALDH1A1 (0.35) ALDH1A1
SCHEMBL9790222 0.74
SCHEMBL22351999 0.73 ALDH1A1 (0.36) ALDH1A1LMNASLC15A2GAA
SCHEMBL13518683 0.73 ALDH1A1 (0.36) ALDH1A1LMNASLC15A2PAOXGAA
SCHEMBL13180634 0.72 GAA (0.48) ALDH1A1GAA
SCHEMBL17087048 0.70
SCHEMBL14878450 0.70 PAOX (0.33) ALDH1A1PAOX
SCHEMBL14946895 0.69 ALDH1A1 (0.56) ALDH1A1LMNASLC15A2PAOXACHE

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
US-7847034-B2 Adducts and curable compositions using same LOCTITE (R&D) LIMITED (IE) 2010-12-07 US disclosed