SCHEMBL6709446

SCHEMBL6709446

CC(OC(=O)N[C@H](C(=O)O)C(C)C)C1CCCNC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CPN1 P15169 2/20 0.43
CPB2 Q96IY4 2/20 0.43
EPHX2 P34913 2/20 0.34
SLC6A1 P30531 2/20 0.34
SLC6A11 P48066 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
SLC6A13 Q9NSD5 1/20 0.34
NPSR1 Q6W5P4 2/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.31
OPRK1 P41145 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL6443600 1.00 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1CPN1CPB2EPHX2
SCHEMBL6710934 0.78 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1EPHX2TSHRLMNA
SCHEMBL6710932 0.78 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1EPHX2TSHRLMNA
SCHEMBL3244080 0.77 CPN1 (0.39) SMN1; SMN2CPN1CPB2SLC6A1SLC6A11
SCHEMBL6050056 0.75 CPN1 (0.45) SMN1; SMN2CPN1CPB2SLC6A1SLC6A11
SCHEMBL8709229 0.75 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL6446438 0.75 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL27772357 0.72 CPN1 (0.42) SMN1; SMN2CPN1CPB2SLC6A1SLC6A11
SCHEMBL903601 0.71 NPSR1 (0.42) SMN1; SMN2ALDH1A1TSHRLMNANPSR1
SCHEMBL1729385 0.71 NPSR1 (0.42) SMN1; SMN2ALDH1A1TSHRLMNANPSR1

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