SCHEMBL640483

SCHEMBL640483

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C12OC1O2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.58
CTSK P43235 5/20 0.58
CTSB P07858 2/20 0.58
CTSL P07711 1/20 0.58
ATM Q13315 2/20 0.54
ACE P12821 1/20 0.53
AKT1 P31749 1/20 0.51
KLK5 Q9Y337 1/20 0.49
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.47
APP P05067 1/20 0.47

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 0.82 ATM (0.54) CTSSCTSKCTSBCTSLATM
SCHEMBL18928686 0.81 ATM (0.51) CTSSCTSKCTSBCTSLATM
SCHEMBL28921896 0.81 ATM (0.53) CTSSCTSKCTSBCTSLATM
SCHEMBL3803942 0.81 ATM (0.53) CTSSCTSKCTSBCTSLATM
SCHEMBL67020 0.78 ACE (0.79) CTSSCTSKCTSBCTSLATM
SCHEMBL21473784 0.78 ACE (0.79) CTSSCTSKCTSBCTSLATM
SCHEMBL795685 0.78 ACE (0.79) CTSSCTSKCTSBCTSLATM
SCHEMBL7269746 0.78 CTSS (0.70) CTSSCTSKCTSBCTSLATM
SCHEMBL606309 0.78 ACE (0.79) CTSSCTSKCTSBCTSLATM
SCHEMBL66220 0.78 ACE (0.79) CTSSCTSKCTSBCTSLATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119389-B2 Rhodococcus erythropolis strain BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-21 US disclosed
EP-1893765-B1 A PROCESS FOR PREPARING (2R,3S)-1,2-EPOXY-3-(PROTECTED)AMINO-4-SUBSTITUTED BUTANE AND INTERMEDIATES THEREOF BRISTOL MYERS SQUIBB CO (US) 2011-11-30 EP disclosed
US-20090286303-A1 PROCESS FOR PREPARING (2R,3S)-1,2-EPOXY-3-(PROTECTED) AMINO-4-SUBSTITUTED BUTANE AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-11-19 US disclosed
US-7582468-B2 Process for preparing (2R,3S)-1,2-epoxy-3-(protected)amino-4-substituted butane and intermediates thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
EP-1893765-A1 A PROCESS FOR PREPARING (2R,3S)-1,2-EPOXY-3-(PROTECTED)AMINO-4-SUBSTITUTED BUTANE AND INTERMEDIATES THEREOF Brystol-Myers Squibb Company (US) 2008-03-05 EP disclosed
WO-2006127180-A1 A PROCESS FOR PREPARING (2R,3S)-1,2-EPOXY-3-(PROTECTED)AMINO-4-SUBSTITUTED BUTANE AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 WO disclosed
US-20060270012-A1 Process for preparing (2R,3S)-1,2-epoxy-3-(protected)amino-4-substituted butane and intermediates thereof BRISTOL-MYERS SQUIBB COMPANY 2006-11-30 US disclosed