SCHEMBL6570741

SCHEMBL6570741

CCOC(=O)[C@]1([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
TSHR P16473 2/20 0.47
CTSS P25774 3/20 0.46
CTSK P43235 3/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
KMT2A Q03164 3/20 0.45
KLK5 Q9Y337 2/20 0.45
ALDH1A1 P00352 2/20 0.45
ACE P12821 1/20 0.44
ADORA1 P30542 1/20 0.43
SYK P43405 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
XBP1 P17861 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL7269676 0.83 ATM (0.54) ATMTSHRCTSSCTSKCTSL
SCHEMBL28921896 0.82 ATM (0.53) ATMTSHRCTSSCTSKCTSL
SCHEMBL3803942 0.82 ATM (0.53) ATMTSHRCTSSCTSKCTSL
SCHEMBL29254920 0.77 PPARA (0.53) ATMTSHRCTSSCTSKCTSL
SCHEMBL640483 0.76 CTSS (0.58) ATMCTSSCTSKCTSLCTSB
SCHEMBL12122453 0.75 CTSS (0.64) ATMCTSSCTSKCTSLCTSB
SCHEMBL1273042 0.75 CTSS (0.64) ATMCTSSCTSKCTSLCTSB
SCHEMBL18918273 0.74 ATM (0.46) ATMTSHRCTSSCTSKCTSL
SCHEMBL26677081 0.74 ATM (0.46) ATMTSHRCTSSCTSKCTSL
SCHEMBL6930254 0.74 SLC7A5 (0.44) ATMCTSSCTSKCTSLCTSB

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-1404328-A1 ALPHA-HYDROXYAMIDE STATINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-04-07 EP disclosed
WO-2003006021-A1 ALPHA-HYDROXYAMIDE STATINE DERIVATIVES FOR THE TREATMENT OF ALZH EIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-01-23 WO disclosed