SCHEMBL13637013

SCHEMBL13637013

CC(O)Cn1c(=O)n(C)c(=O)n(C(C)O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
AGER Q15109 1/20 0.33
MAPK1 P28482 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 2/20 0.32
ATM Q13315 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
SCHEMBL14283656 0.88 KDM4E (0.38) RAB9ALMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL14037107 0.80 ADORA2B (0.32)
SCHEMBL13847007 0.79 RAB9A (0.36) RAB9ALMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL13052283 0.77 CYP3A4 (0.48) LMNAALDH1A1KDM4EMAPTHTT
SCHEMBL260676 0.77 KDM4E (0.43) RAB9ALMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL30872057 0.71 KDM4E (0.37) RAB9ALMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL863198 0.70 GSK3A (0.39)
SCHEMBL11690456 0.70 KDM4E (0.39) RAB9ALMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL1244237 0.70 ALDH1A1 (0.31) LMNAALDH1A1
SCHEMBL6804165 0.68 ALDH1A1 (0.50) RAB9ALMNASMN1; SMN2ALDH1A1KDM4E

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-1749051-B1 FLAME-RETARDANTS BASF SE (DE) 2009-11-18 EP disclosed