SCHEMBL27539162

SCHEMBL27539162

CCCCCCCC(=O)OC(O)c1c(CO)cnc(C)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDXK O00764 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ LMNA P02545 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AOX1 Q06278 1/20 0.39
▸ CNR2 P34972 6/20 0.39
▸ CNR1 P21554 4/20 0.39
▸ TRIM24 O15164 1/20 0.39
▸ TRIM33 Q9UPN9 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ PRKCA P17252 1/20 0.38
▸ PRKCE Q02156 1/20 0.38
▸ PRKCQ Q04759 1/20 0.38
▸ PRKCD Q05655 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
SCHEMBL27606029 1.00 PDXK (0.42) PDXKMAPTMAPK1LMNAALDH1A1
SCHEMBL27588200 1.00 PDXK (0.42) PDXKMAPTMAPK1LMNAALDH1A1
SCHEMBL27550757 0.89 PDXK (0.40) PDXKMAPTMAPK1LMNAALDH1A1
SCHEMBL27339626 0.85 PDXK (0.48) PDXKMAPTLMNAALDH1A1KDM4E
SCHEMBL27557794 0.83 PDXK (0.39) PDXKMAPTLMNAALDH1A1KDM4E
SCHEMBL28031310 0.82 KDM4E (0.40) PDXKMAPTLMNAALDH1A1KDM4E
SCHEMBL3065438 0.82 PDXK (0.45) PDXKLMNAALDH1A1KDM4EHPGD
SCHEMBL27636125 0.82 MAPK1 (0.36) MAPTMAPK1LMNAALDH1A1KDM4E
SCHEMBL27437788 0.80 KDM4E (0.47) PDXKMAPTLMNAALDH1A1KDM4E
SCHEMBL28085869 0.76 KDM4E (0.51) PDXKLMNAALDH1A1KDM4EHPGD

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-1112419-A A composition containing pyridoxinetripropionate, a process for the manufacture and the use thereof HOFFMANN LA ROCHE (CH) 1995-11-29 — — CN disclosed
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