SCHEMBL29638818

SCHEMBL29638818

OCc1cnc(CCc2ncc(CO)c(CO)c2O)c(O)c1CO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDXK O00764 3/20 0.62
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 3/20 0.62
HPGD P15428 3/20 0.62
HSD17B10 Q99714 2/20 0.62
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AOX1 Q06278 1/20 0.38
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
DPP4 P27487 1/20 0.33
GAA P10253 1/20 0.33
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30

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
SCHEMBL3761208 0.91 PDXK (0.62) PDXKKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL11700751 0.89 ALDH1A1 (0.60) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1645737 0.86 PDXK (0.56) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4016022 0.86 KDM4E (0.61) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2909398 0.86 PDXK (0.61) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11449347 0.81 KDM4E (0.56) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4558720 0.81 PDXK (0.51) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30324515 0.80 KDM4E (0.50) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3900653 0.80 PDXK (0.50) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5500541 0.79 PDXK (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115279387-A Topical composition comprising arillus longan combined crude drug extract for inhibiting TSLP and treating or improving skin inflammation diseases, and its application (株)美迪合伙来音 2022-11-01 CN disclosed
CN-114432175-A Pet skin care agent 佛山市佛丹动物药业有限公司 2022-05-06 CN disclosed