SCHEMBL1052902

SCHEMBL1052902

CC(C)(C)C(N)CN1CCC(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
ANPEP P15144 1/20 0.36
ENPEP Q07075 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
S1PR5 Q9H228 2/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL1048787 0.78 SMN1; SMN2 (0.44) LMNASMN1; SMN2ANPEPENPEPL3MBTL1
SCHEMBL321619 0.77 PIK3CD (0.50) LMNASMN1; SMN2L3MBTL1S1PR5HSD17B10
SCHEMBL28098432 0.75 L3MBTL1 (0.40) LMNASMN1; SMN2L3MBTL1S1PR5KDM4E
SCHEMBL11308867 0.74 SMN1; SMN2 (0.39) LMNASMN1; SMN2L3MBTL1S1PR5HSD17B10
SCHEMBL12465587 0.74 SMN1; SMN2 (0.39) LMNASMN1; SMN2L3MBTL1S1PR5S1PR4
SCHEMBL19113012 0.74 GNAO1 (0.32)
SCHEMBL13905848 0.73 LMNA (0.49) LMNASMN1; SMN2L3MBTL1S1PR5PLG
SCHEMBL6975583 0.72 SMN1; SMN2 (0.42) LMNASMN1; SMN2L3MBTL1S1PR5S1PR4
SCHEMBL4115964 0.72 MEN1 (0.41) LMNAANPEPL3MBTL1HSD17B10ALDH1A1
SCHEMBL13821435 0.72 MEN1 (0.41) LMNAANPEPL3MBTL1HSD17B10ALDH1A1

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
EP-2448926-A1 FLAVIN DERIVATIVES Biorelix, Inc. (US) 2012-05-09 EP disclosed
WO-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 WO disclosed