SCHEMBL28558604

SCHEMBL28558604

CCCCCCCCCCCCCCCCCCC(O)c1c(CO)cnc(C)c1O.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDXK O00764 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ AOX1 Q06278 1/20 0.42
▸ TRIM24 O15164 1/20 0.41
▸ TRIM33 Q9UPN9 1/20 0.41
▸ SGPL1 O95470 1/20 0.38
▸ GFER P55789 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32

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
Hydrochloric Acid SCHEMBL28805882 0.82 KDM4E (0.51) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3065438 0.79 PDXK (0.45) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27858957 0.77 KDM4E (0.59) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27588200 0.76 PDXK (0.42) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27539162 0.76 PDXK (0.42) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27606029 0.76 PDXK (0.42) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28084175 0.76 KDM4E (0.58) PDXKKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL28655586 0.76 KDM4E (0.58) PDXKKDM4EALDH1A1HPGDHSD17B10
Water SCHEMBL27615112 0.76 KDM4E (0.58) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28113588 0.75 PDXK (0.55) PDXKKDM4EALDH1A1HPGDHSD17B10

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-107920973-B Surface modification composition 株式会社LG生活健康 2021-05-07 — — CN disclosed
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