SCHEMBL28517132

SCHEMBL28517132

COC(O)c1c(CO)cnc(C)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ HPGD P15428 3/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ PDXK O00764 3/20 0.51
▸ LMNA P02545 4/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ AOX1 Q06278 1/20 0.47
▸ TRIM24 O15164 1/20 0.46
▸ TRIM33 Q9UPN9 1/20 0.46
▸ GFER P55789 1/20 0.40
▸ GAA P10253 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 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
SCHEMBL1545975 0.84 PDXK (0.53) KDM4EALDH1A1HPGDHSD17B10PDXK
Hydrochloric Acid SCHEMBL8904107 0.83 PDXK (0.51) KDM4EALDH1A1HPGDHSD17B10PDXK
SCHEMBL27858957 0.83 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10PDXK
SCHEMBL23045016 0.83 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10PDXK
SCHEMBL28049059 0.82 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10PDXK
SCHEMBL27437788 0.82 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10PDXK
Water SCHEMBL27615112 0.81 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10PDXK
Hydrochloric Acid SCHEMBL28655586 0.81 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10PDXK
SCHEMBL28084175 0.81 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10PDXK
SCHEMBL29086551 0.81 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10PDXK

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-109369373-B Method for preparing shikimic acid extract from ginkgo leaf extract chromatography waste liquid 长江师范学院 2021-01-08 — — CN disclosed
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