SCHEMBL28459231

SCHEMBL28459231

CCOC1(c2ccccc2)Oc2ccccc2C(=O)C1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 1/20 0.42
GLA P06280 2/20 0.41
CTDSP1 Q9GZU7 2/20 0.41
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RECQL P46063 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM1 Q13255 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL28140395 0.85 CYP3A4 (0.47) SMN1; SMN2CYP3A4ALOX15GLACTDSP1
SCHEMBL3289417 0.73 CYP3A4 (0.42) SMN1; SMN2CYP3A4ALOX15GLACTDSP1
SCHEMBL7513764 0.71 CYP3A4 (0.42) SMN1; SMN2CYP3A4ALOX15GLACTDSP1
SCHEMBL3221182 0.71 CYP3A4 (0.44) SMN1; SMN2CYP3A4ALOX15GLACTDSP1
SCHEMBL29216009 0.70 HSP90AA1 (0.41) SMN1; SMN2CYP3A4ALOX15GLACTDSP1
SCHEMBL28320415 0.70 RET (0.41) CYP3A4ALOX15MEN1KMT2ARECQL
SCHEMBL5830003 0.69 IDO1 (0.40) CYP3A4ALOX15RECQLALDH1A1L3MBTL1
SCHEMBL27282516 0.68 SMN1; SMN2 (0.48) SMN1; SMN2GLACTDSP1CYP2C9CYP2C19
SCHEMBL30912243 0.68 ALDH1A1 (0.39) SMN1; SMN2CYP3A4ALOX15CYP2C9CYP2C19
SCHEMBL7518905 0.66 NPSR1 (0.41) CYP3A4ALOX15CYP2C9CYP2C19NPSR1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111920820-A Application of acetyl glycyrrhetinic acid methyl ester in preparation of medicine for treating viral hepatitis B 大理大学 2020-11-13 CN disclosed
CN-111920819-A Application of dihydroxyl glycyrrhetinic acid methyl ester in preparation of medicine for treating viral hepatitis B 大理大学 2020-11-13 CN disclosed
CN-111904963-A Application of 2, 3-dihydroxyl glycyrrhetinic acid in preparation of medicine for treating viral hepatitis B 大理大学 2020-11-10 CN disclosed
CN-111904964-A Preparation of dienyl mesyloxy oleanol and medical application of dienyl mesyloxy oleanol in hepatitis B resistance 大理大学 2020-11-10 CN disclosed
CN-111888365-A Application of dihydroxyketene methyl oleanolic acid in preparing medicament for treating viral hepatitis B 大理大学 2020-11-06 CN disclosed
CN-111888363-A Preparation of dihydroxyketene methyl oleanolic acid and antiviral application thereof 大理大学 2020-11-06 CN disclosed
CN-111888364-A Application of heterocyclic diene hydroxymethyl oleanane in preparing antiviral hepatitis B medicine 大理大学 2020-11-06 CN disclosed
CN-111888366-A Application of 12-ketone oleanolic acid methyl ester in preparation of antiviral hepatitis B drug 大理大学 2020-11-06 CN disclosed
CN-111870604-A Application of isocycloenone oleanolic acid methyl ester in preparing medicine for preventing and treating viral hepatitis B 大理大学 2020-11-03 CN disclosed
CN-111870603-A Application of methyl glycyrrhetinate in preparation of medicine for treating viral hepatitis B 大理大学 2020-11-03 CN disclosed
CN-111789855-A Medical application of 3 beta-methylsulfonyl oxyoleanolic acid in preparation of antiviral hepatitis B 大理大学 2020-10-20 CN disclosed
CN-111789849-A Application of dewatered ketene oleanolic acid in preparing antiviral drugs 大理大学 2020-10-20 CN disclosed
CN-111789851-A Application of dicarbonyl glycyrrhetinic acid methyl ester in preparation of medicine for treating viral hepatitis B 大理大学 2020-10-20 CN disclosed
CN-111789848-A Application of dihydroxyl oleanane 12-ene in preparing antiviral hepatitis B medicine 大理大学 2020-10-20 CN disclosed
CN-111789857-A Application of triene oleanolic acid methyl ester in preparing medicine for preventing and treating viral hepatitis B 大理大学 2020-10-20 CN disclosed
CN-111789853-A Application of methyl methylsulfonyl diene oleanolic acid in preparing medicine for preventing and treating viral hepatitis B 大理大学 2020-10-20 CN disclosed
CN-111759846-A Medical application of A-ring double-bond oleanolic acid in preparation of medicines for preventing and treating viral hepatitis B 大理大学 2020-10-13 CN disclosed
CN-111759848-A Application of 3-carbonyl oleanolic acid in preparing medicament for preventing and treating viral hepatitis B 大理大学 2020-10-13 CN disclosed
CN-111759847-A Application of conjugated diene methyl oleanolic acid in preparation of antiviral hepatitis B drug 大理大学 2020-10-13 CN disclosed
CN-111759845-A Application of beta-hydroxyketene methyl oleanolic acid in preparing medicament for treating viral hepatitis B 大理大学 2020-10-13 CN disclosed