SCHEMBL6039623

SCHEMBL6039623

CC(C)(C)N(C[C]=O)CCO

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.35
MAPT P10636 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
SCHEMBL115482 0.77 MAPT (0.42) ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL24524714 0.75 MAPT (0.40) ALDH1A1L3MBTL1KDM4EMAPT
Hydrochloric Acid SCHEMBL31612219 0.75 MAPT (0.40) ALDH1A1L3MBTL1KDM4EMAPT
Boric Acid SCHEMBL28562706 0.70 MAPT (0.36) ALDH1A1L3MBTL1MAPT
SCHEMBL7927935 0.70 MAPT (0.36) ALDH1A1L3MBTL1MAPT
SCHEMBL2575881 0.69
SCHEMBL23339267 0.69 ALDH1A1 (0.35) ALDH1A1L3MBTL1MAPT
SCHEMBL7930524 0.69 ALDH1A1 (0.35) ALDH1A1L3MBTL1MAPT
SCHEMBL6764110 0.68 ALDH1A1 (0.35) ALDH1A1L3MBTL1MAPT
SCHEMBL3513091 0.67 MAPT (0.36) KDM4EMAPT

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-2006038001-A1 AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS CELLTECH R & D LIMITED (GB) 2006-04-13 WO disclosed