SCHEMBL7128852

SCHEMBL7128852

CCCCn1c(O)c(C(=O)O)c(=O)n(CCCC)c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.42
ADORA2A P29274 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
ADORA2B P29275 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.39
RGS4 P49798 1/20 0.39
TNF P01375 1/20 0.39
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3420455 0.81 EGLN3 (0.46) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL29476087 0.81 PDE4A (0.38) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL3415785 0.76 EGLN3 (0.44) MEN1KMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL19267071 0.72 POLB (0.54) MEN1KMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL11534161 0.71 LMNA (0.48) MEN1KMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL838929 0.71 RGS4 (0.58) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL16116321 0.70 ALDH1A1 (0.43) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL22344830 0.69 APEX1 (0.55) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL3758300 0.69 APEX1 (0.55) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL30976969 0.69 KDM4E (0.51) PDE4AADORA2APDE4BPDE4CPDE4D

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
WO-2003037262-A2 NOVEL ANIT-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2003-05-08 WO disclosed