SCHEMBL6567684

SCHEMBL6567684

C[C@@H](C(=O)NCc1ccccc1)[C@@H](O)[C@H](O)CCc1cc(F)cc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.44
MASP2 O00187 2/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
MME P08473 1/20 0.41
F2 P00734 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC1A2 P43004 1/20 0.41
CYP3A4 P08684 1/20 0.41
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6567682 0.80 SCN5A (0.43) ALDH1A1KMT2ASCN5ASCN9AMME
SCHEMBL21233885 0.73 KMT2A (0.61) MMP8ALDH1A1KMT2ASCN9AMME
SCHEMBL21233754 0.73 KMT2A (0.61) MMP8ALDH1A1KMT2ASCN9AMME
SCHEMBL13333829 0.73 MASP2 (0.48) ALDH1A1KMT2AMASP2F2CYP3A4
SCHEMBL3356614 0.73 MASP2 (0.48) ALDH1A1KMT2AMASP2F2CYP3A4
SCHEMBL14577806 0.73 MASP2 (0.48) ALDH1A1KMT2AMASP2F2CYP3A4
SCHEMBL14614227 0.72 KMT2A (0.54) MMP8ALDH1A1SMN1; SMN2KMT2AMME
SCHEMBL12251345 0.71 KMT2A (0.63) MMP8ALDH1A1SMN1; SMN2KMT2ASCN9A
SCHEMBL7615257 0.71 BACE1 (0.54) BACE1BACE2
SCHEMBL5389600 0.71 BACE1 (0.54) BACE1BACE2

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-1404664-A1 AMINEDIOLS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-04-07 EP disclosed
WO-2003006453-A1 AMINEDIOLS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-01-23 WO disclosed