SCHEMBL27636352

SCHEMBL27636352

CCCCCCCn1cccc(O)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
EGLN1 Q9GZT9 2/20 0.47
VEGFA P15692 1/20 0.47
MMP2 P08253 3/20 0.46
MMP9 P14780 3/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
TLR8 Q9NR97 1/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
FAAH O00519 3/20 0.41
MGLL Q99685 3/20 0.41
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
TYR P14679 1/20 0.41

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
SCHEMBL31041845 1.00 ALDH1A1 (0.48) ALDH1A1NPSR1EGLN1VEGFAMMP2
SCHEMBL16088173 0.98 ALDH1A1 (0.49) ALDH1A1NPSR1EGLN1VEGFAMMP2
SCHEMBL9453852 0.93 ALDH1A1 (0.54) ALDH1A1NPSR1EGLN1VEGFAMMP2
SCHEMBL9453861 0.86 EGLN1 (0.53) ALDH1A1NPSR1EGLN1VEGFAMMP2
SCHEMBL11638318 0.80 CNR2 (0.52) ALDH1A1MAPTKDM4ECNR1CNR2
SCHEMBL13962027 0.79 EGLN1 (0.50) ALDH1A1NPSR1EGLN1VEGFAMMP2
SCHEMBL7260904 0.79 EGLN1 (0.46) EGLN1VEGFAMMP2MMP9MAPT
SCHEMBL2645984 0.78 EGLN1 (0.56) ALDH1A1EGLN1VEGFAMMP2MMP9
SCHEMBL10461123 0.78 CNR2 (0.53) CNR1CNR2MEN1KMT2A
SCHEMBL10352380 0.77 ALDH1A1 (0.41) ALDH1A1NPSR1EGLN1VEGFAMMP2

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
CN-1708481-A N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones as antimicrobials PROCTER & GAMBLE (US) 2005-12-14 CN claimed