SCHEMBL6893977

SCHEMBL6893977

CC(C)(C)C(NCc1ccc2c(c1)OCO2)[C@H](O)[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 6/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2078615 0.79 CYP3A4 (0.45) RAB9AALDH1A1SMN1; SMN2
SCHEMBL7613137 0.79 MEN1 (0.54) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL7613129 0.79 MEN1 (0.54) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL271177 0.76 TRPM8 (0.47) RAB9ANPC1
SCHEMBL609657 0.75 BCHE (0.41) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL11343509 0.74 HPGD (0.60) HPGDMEN1KMT2ARAB9ANPC1
SCHEMBL5375742 0.73 BACE1 (0.48)
SCHEMBL1797388 0.71 CYP3A4 (0.41) ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL4357081 0.71 CYP3A4 (0.50) HPGDMEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL8535483 0.70 CTSD (0.47) LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed