SCHEMBL31349688

SCHEMBL31349688

CC(=O)O[C@@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 14/20 0.81
▸ HPGD P15428 10/20 0.81
▸ CYP3A4 P08684 4/20 0.81
▸ HSD17B10 Q99714 4/20 0.81
▸ ALDH1A1 P00352 11/20 0.69
▸ MAPT P10636 3/20 0.69
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ GAA P10253 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ LMNA P02545 3/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ABCB1 P08183 2/20 0.50
▸ RCE1 Q9Y256 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ MAOA P21397 1/20 0.50

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
Jatamansin SCHEMBL29385603 0.90 KDM4E (1.00) KDM4EHPGDCYP3A4HSD17B10ALDH1A1
Jatamansin SCHEMBL12062120 0.90 KDM4E (1.00) KDM4EHPGDCYP3A4HSD17B10ALDH1A1
Jatamansin SCHEMBL26671050 0.90 KDM4E (1.00) KDM4EHPGDCYP3A4HSD17B10ALDH1A1
Jatamansin SCHEMBL14523891 0.90 KDM4E (1.00) KDM4EHPGDCYP3A4HSD17B10ALDH1A1
Jatamansin SCHEMBL30634819 0.90 KDM4E (1.00) KDM4EHPGDCYP3A4HSD17B10ALDH1A1
SCHEMBL29707867 0.89 KDM4E (0.76) KDM4EHPGDCYP3A4HSD17B10ALDH1A1
SCHEMBL15444380 0.82 KDM4E (0.57) KDM4EHPGDCYP3A4HSD17B10ALDH1A1
(+)-Lomatin SCHEMBL29707947 0.82 KDM4E (1.00) KDM4EHPGDCYP3A4HSD17B10ALDH1A1
Lomatin SCHEMBL6273711 0.82 KDM4E (1.00) KDM4EHPGDCYP3A4HSD17B10ALDH1A1
SCHEMBL4740846 0.78 MAOA (0.79) KDM4EHPGDCYP3A4HSD17B10ALDH1A1

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-119124764-A Preparation method and quality detection method of high-purity Hyuganin D 江苏省中医院 2024-12-13 — — CN disclosed
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