SCHEMBL6712903

SCHEMBL6712903

CC(C)[C@H](NC(=O)C(N)C(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.43
CTSS P25774 4/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
MMP8 P22894 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CTSB P07858 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL6445944 0.79 SMN1; SMN2 (0.64) SMN1; SMN2PKMCTSSCYP2C19ALDH1A1
SCHEMBL5839241 0.79 SMN1; SMN2 (0.64) SMN1; SMN2PKMCTSSCYP2C19ALDH1A1
SCHEMBL6443903 0.75 SMN1; SMN2 (0.44) SMN1; SMN2PKMCTSSALDH1A1
SCHEMBL14779934 0.75 SMN1; SMN2 (0.50) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL13645754 0.72 SMN1; SMN2 (0.50) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL14655321 0.71 SMN1; SMN2 (0.47) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL5966926 0.71 SMN1; SMN2 (0.47) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL14396537 0.70 SMN1; SMN2 (0.50) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL5436113 0.70 SMN1; SMN2 (0.50) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1
SCHEMBL6165804 0.70 SMN1; SMN2 (0.50) SMN1; SMN2PKMCYP3A4CYP2C19ALDH1A1

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-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed