SCHEMBL6429036

SCHEMBL6429036

CC(C)COCC(O)CN1/C=C\N(CC(O)COCC(C)C)CCN(CC(O)COCC(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
USP2 O75604 3/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 4/20 0.42
TSHR P16473 2/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 1/20 0.38
TP53 P04637 1/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL6429041 1.00 SMN1; SMN2 (0.43) SMN1; SMN2USP2GAAMAPK1HTT
SCHEMBL6432243 0.88 SMN1; SMN2 (0.47) SMN1; SMN2USP2GAAMAPK1HTT
SCHEMBL20805381 0.81 SMN1; SMN2 (0.43) SMN1; SMN2USP2GAAMAPK1HTT
SCHEMBL25513926 0.81 KDM4E (0.57) SMN1; SMN2USP2GAAMAPK1HTT
SCHEMBL19605009 0.81 SMN1; SMN2 (0.43) SMN1; SMN2USP2GAAMAPK1HTT
SCHEMBL10471950 0.81 KMT2A (0.54) SMN1; SMN2GAAHTTKDM4ETSHR
SCHEMBL10655740 0.81 KMT2A (0.54) SMN1; SMN2GAAHTTKDM4ETSHR
SCHEMBL11770711 0.78 USP2 (0.55) SMN1; SMN2USP2GAAMAPK1HTT
SCHEMBL20812316 0.77 SMN1; SMN2 (0.40) SMN1; SMN2USP2GAAMAPK1HTT
SCHEMBL21791690 0.71 SMN1; SMN2 (0.54) SMN1; SMN2USP2GAAMAPK1HTT

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
EP-0955044-B1 Method of inhibiting bacterial or fungal growth using a complexing agent CHELATOR LLC (US) 2005-11-16 EP disclosed