SCHEMBL1048787

SCHEMBL1048787

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
S1PR5 Q9H228 5/20 0.40
ANPEP P15144 1/20 0.40
ENPEP Q07075 1/20 0.40
SLC18A3 Q16572 1/20 0.39
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
LTA4H P09960 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36

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
SCHEMBL6975583 0.81 SMN1; SMN2 (0.42) SMN1; SMN2S1PR5SLC18A3LMNAL3MBTL1
SCHEMBL1440004 0.79 SMN1; SMN2 (0.41) SMN1; SMN2S1PR5SLC18A3LMNAL3MBTL1
SCHEMBL321619 0.78 PIK3CD (0.50) SMN1; SMN2S1PR5LMNAL3MBTL1ALDH1A1
SCHEMBL1052902 0.78 LMNA (0.42) SMN1; SMN2S1PR5ANPEPENPEPLMNA
SCHEMBL28098432 0.77 L3MBTL1 (0.40) SMN1; SMN2S1PR5LMNAL3MBTL1ALDH1A1
SCHEMBL855052 0.75 SMN1; SMN2 (0.67) SMN1; SMN2S1PR5LMNAL3MBTL1ALDH1A1
SCHEMBL12465587 0.75 SMN1; SMN2 (0.39) SMN1; SMN2S1PR5LMNAL3MBTL1ALDH1A1
SCHEMBL11308867 0.75 SMN1; SMN2 (0.39) SMN1; SMN2S1PR5SLC18A3LMNAL3MBTL1
SCHEMBL1045080 0.74 PIK3CD (0.32) ANPEPL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL6997154 0.74 SMN1; SMN2 (0.64) SMN1; SMN2S1PR5LMNAL3MBTL1ALDH1A1

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