SCHEMBL6233244

SCHEMBL6233244

O=C(O)N1C(=O)CC[C@H]1CO

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31

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
SCHEMBL3182376 1.00 ACE (0.38) ACEL3MBTL1POLBHDAC1HDAC8
SCHEMBL3182383 1.00 ACE (0.38) ACEL3MBTL1POLBHDAC1HDAC8
SCHEMBL23346234 0.82 ACE (0.34) ACEL3MBTL1POLBHDAC1HDAC8
SCHEMBL26663809 0.82 ACE (0.41) ACEPOLBPTGER3PTGER2ITGB1
SCHEMBL26663803 0.82 ACE (0.41) ACEPOLBPTGER3PTGER2ITGB1
SCHEMBL7561265 0.79 ITGB1 (0.41) L3MBTL1POLBITGB1ITGA4
SCHEMBL28898088 0.78 ACE (0.38) ACEPOLBPTGER3PTGER2ITGB1
SCHEMBL9154699 0.76 TPSAB1 (0.48) POLBITGB1ITGA4
SCHEMBL22462730 0.75 ABCB1 (0.41) L3MBTL1ITGB1
SCHEMBL13482907 0.74 NR1H2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO disclosed