SCHEMBL5829016

SCHEMBL5829016

CCOC(=O)CC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTSK P43235 2/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
PPID Q08752 1/20 0.40
HSD11B1 P28845 1/20 0.39

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
SCHEMBL9175373 0.93 TK1 (0.44) TK1ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL10776041 0.93 TK1 (0.44) TK1ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL9174666 0.89 TK1 (0.43) TK1ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL3837132 0.85 TK1 (0.45) TK1ALDH1A1LMNACTSKPOLB
SCHEMBL5354077 0.85 TK1 (0.45) TK1ALDH1A1LMNACTSKPOLB
SCHEMBL4926228 0.82 TK1 (0.46) TK1ALDH1A1TSHRLMNACTSK
SCHEMBL4925573 0.82 TK1 (0.46) TK1ALDH1A1TSHRLMNACTSK
SCHEMBL4191209 0.82 TK1 (0.46) TK1ALDH1A1TSHRLMNACTSK
SCHEMBL3954890 0.79 TK1 (0.44) TK1ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL2131414 0.79 TK1 (0.44) TK1ALDH1A1TSHRLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39333-E1 Process for the preparation of 5-hydroxy-3-oxopentanoic acid derivatives KANEKA CORPORATION (JP) 2006-10-10 US disclosed
EP-1104750-B1 PROCESSES FOR THE PREPARATION OF 5-HYDROXY-3-OXOPENTANOIC ACID DERIVATIVES KANEKA CORP (JP) 2004-04-14 EP disclosed
US-6340767-B1 REACTION OF LITHIUM AMIDE WITH ACETIC ACID ESTER AND HYDROXY PROPIONIC ACID KANEKA CORPORATION (JP) 2002-01-22 US disclosed
EP-1104750-A1 PROCESSES FOR THE PREPARATION OF 5-HYDROXY-3-OXOPENTANOIC ACID DERIVATIVES KANEKA CORPORATION (JP) 2001-06-06 EP disclosed