SCHEMBL6582665

SCHEMBL6582665

CCCCOC(=O)N1CCC(NC=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
THRB P10828 1/20 0.51
ATM Q13315 1/20 0.51
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NOS2 P35228 2/20 0.40
MAPK1 P28482 1/20 0.39
EPHX2 P34913 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 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
SCHEMBL28040139 0.87 THRB (0.63) LMNAPOLBSMN1; SMN2L3MBTL1THRB
SCHEMBL3174479 0.86 L3MBTL1 (0.67) LMNAPOLBL3MBTL1THRBATM
SCHEMBL21757648 0.85 SMN1; SMN2 (0.48) LMNAPOLBSMN1; SMN2L3MBTL1THRB
SCHEMBL525854 0.84 LMNA (0.56) LMNAPOLBSMN1; SMN2L3MBTL1THRB
SCHEMBL14368354 0.81 L3MBTL1 (0.60) LMNAPOLBL3MBTL1THRBATM
SCHEMBL5500990 0.81 LMNA (0.56) LMNAPOLBSMN1; SMN2L3MBTL1THRB
SCHEMBL31540784 0.81 LMNA (0.50) LMNAPOLBSMN1; SMN2L3MBTL1THRB
SCHEMBL7449135 0.80 POLB (0.63) LMNAPOLBSMN1; SMN2L3MBTL1THRB
SCHEMBL30802296 0.79 SMN1; SMN2 (0.51) LMNAPOLBSMN1; SMN2L3MBTL1THRB
SCHEMBL15048844 0.79 LMNA (0.51) LMNAPOLBSMN1; SMN2L3MBTL1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009091856-A2 BETA-LACTAMASE INHIBITORS MERCK & CO., INC. (US) 2009-07-23 WO disclosed
EP-1455788-A1 1-GLYCINYL-4-AMINOMETHYL-PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS ELI LILLY AND COMPANY (US) 2004-09-15 EP disclosed
WO-2003049737-A1 CHEMICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-06-19 WO disclosed