SCHEMBL6567682

SCHEMBL6567682

C[C@@H](C(=O)NCc1ccccc1)[C@@H](O)[C@H](O)[CH]Cc1cc(F)cc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.43
SCN9A Q15858 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MME P08473 1/20 0.41
CYP3A4 P08684 3/20 0.40
SLC1A2 P43004 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38

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
SCHEMBL6567684 0.80 MMP8 (0.45) SCN5ASCN9AKMT2AALDH1A1MEN1
SCHEMBL4811289 0.74 SCN9A (0.38) SCN5ASCN9AALDH1A1MAPTCYP3A4
SCHEMBL21233754 0.72 KMT2A (0.61) SCN9AKMT2AALDH1A1MEN1MAPT
SCHEMBL21233885 0.72 KMT2A (0.61) SCN9AKMT2AALDH1A1MEN1MAPT
SCHEMBL12251345 0.70 KMT2A (0.63) SCN9AKMT2AALDH1A1MEN1MAPT
SCHEMBL10405578 0.69 KMT2A (0.65) SCN9AKMT2AALDH1A1MEN1MAPT
SCHEMBL9062437 0.69 KMT2A (0.65) SCN9AKMT2AALDH1A1MEN1MAPT
SCHEMBL5023233 0.68 MMP8 (0.60) ALDH1A1MME
SCHEMBL14963194 0.68 KMT2A (0.59) SCN9AKMT2AALDH1A1MEN1MAPT
SCHEMBL8310339 0.68 ERCC1 (0.56) ALDH1A1CYP3A4TSHRCASP1

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