SCHEMBL8656303

SCHEMBL8656303

CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H](CO)C(=O)O.CC=CCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AKT1 P31749 3/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
BACE1 P56817 1/20 0.35
HTT P42858 1/20 0.34
ACE P12821 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHRNB2 P17787 1/20 0.34

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
SCHEMBL9124694 0.91 L3MBTL1 (0.48) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL20576145 0.91 L3MBTL1 (0.48) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL3397689 0.91 L3MBTL1 (0.48) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL8472422 0.80 ALDH1A1 (0.48) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL18359864 0.80 ALDH1A1 (0.48) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL8472423 0.80 ALDH1A1 (0.48) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL6513912 0.80 L3MBTL1 (0.42) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL3092249 0.80 L3MBTL1 (0.45) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL27880889 0.80 L3MBTL1 (0.45) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL9807251 0.79 L3MBTL1 (0.47) L3MBTL1ALDH1A1LMNAPOLBHSD17B10

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
US-5767256-A REACTING HYDROXYL GROUP-CONTAINING ACCEPTOR WITH DONOR SELECTED FROM O-PYRANOSYL AND O-FURANOSYL GLYCOSIDES HAVING PYRIDINE-CONTAINING LEAVING GROUPS HANESSIAN STEPHEN (CA) 1998-06-16 US disclosed
WO-1995003316-A2 SOLUTION AND SOLID PHASE STEREOCONTROLLED GLYCOSIDATION HANESSIAN STEPHEN (CA) 1995-02-02 WO disclosed