SCHEMBL8439259

SCHEMBL8439259

NCCCCCCCCCCC(=O)N[C@H]([C]=O)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 6/20 0.42
NMT2 O60551 5/20 0.42
DNM1 Q05193 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
PLG P00747 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
SLC6A2 P23975 1/20 0.39
RECQL P46063 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
PAOX Q6QHF9 1/20 0.38
FAAH O00519 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL27535723 0.86 SLC6A5 (0.45) NMT1NMT2DNM1MEN1KMT2A
SCHEMBL3717425 0.86 SLC6A5 (0.45) NMT1NMT2DNM1MEN1KMT2A
SCHEMBL3628190 0.83 KMT2A (0.46) NMT1NMT2DNM1MEN1KMT2A
SCHEMBL10783264 0.83 MEN1 (0.58) DNM1MEN1KMT2ATHRBFAAH
SCHEMBL3625944 0.81 CYP2D6 (0.44) NMT1NMT2DNM1MEN1KMT2A
SCHEMBL3976246 0.81 LMNA (0.52) NMT1NMT2MEN1KMT2AALDH1A1
SCHEMBL2182070 0.81 SLC6A5 (0.40) NMT1NMT2DNM1MEN1KMT2A
SCHEMBL8846585 0.80 SLC6A5 (0.55) DNM1MEN1KMT2ASLC6A5FAAH
SCHEMBL3758242 0.80 SLC6A5 (0.55) DNM1MEN1KMT2ASLC6A5FAAH
SCHEMBL13073221 0.78 DNM1 (0.53) NMT1NMT2DNM1MEN1KMT2A

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
US-5942600-A COMPOUNDS WITH SELECTIVE CONTROL OF FUNGAL ORGANISM CANDIDA ALBICANS FOR TREATMENT IN HUMANS, FOR EXAMPLE THOSE WITH WEAKENED IMMUNE SYSTEMS DUE TO AIDS; SPECIES-SPECIFIC CONTROL G. D. SEARLE & CO. (US) 1999-08-24 US claimed
US-5942600-A COMPOUNDS WITH SELECTIVE CONTROL OF FUNGAL ORGANISM CANDIDA ALBICANS FOR TREATMENT IN HUMANS, FOR EXAMPLE THOSE WITH WEAKENED IMMUNE SYSTEMS DUE TO AIDS; SPECIES-SPECIFIC CONTROL G. D. SEARLE & CO. (US) 1999-08-24 US disclosed