SCHEMBL31029804

SCHEMBL31029804

c1c2c(cc3c1OCO3)-c1c3c(cc4c1C(C2)NCC4)OCO3

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRCAP Q14761 1/20 0.76
POLB P06746 4/20 0.71
KDM4E B2RXH2 4/20 0.71
KMT2A Q03164 3/20 0.71
LMNA P02545 2/20 0.71
MAPT P10636 2/20 0.71
ALDH1A1 P00352 1/20 0.71
HPGD P15428 1/20 0.71
HTT P42858 1/20 0.71
MCL1 Q07820 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
BCHE P06276 2/20 0.70
DYRK1A Q13627 2/20 0.67
CASP6 P55212 2/20 0.46
RAD52 P43351 2/20 0.46
TDP2 O95551 1/20 0.46
MEN1 O00255 1/20 0.43
APAF1 O14727 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL29390321 0.87 KDM4E (0.84) PTPRCAPPOLBKDM4EKMT2ALMNA
Anonaine SCHEMBL15800852 0.86 PTPRCAP (1.00) PTPRCAPPOLBKDM4EKMT2ALMNA
Anonaine SCHEMBL30049091 0.86 PTPRCAP (1.00) PTPRCAPPOLBKDM4EKMT2ALMNA
Anonaine SCHEMBL15800856 0.86 PTPRCAP (1.00) PTPRCAPPOLBKDM4EKMT2ALMNA
Anolobine SCHEMBL29393536 0.86 PTPRCAP (0.73) PTPRCAPPOLBKDM4EKMT2ALMNA
Anolobine SCHEMBL30637512 0.86 PTPRCAP (0.73) PTPRCAPPOLBKDM4EKMT2ALMNA
SCHEMBL14543629 0.86 PTPRCAP (0.73) PTPRCAPPOLBKDM4EKMT2ALMNA
SCHEMBL11891033 0.85 KDM4E (0.71) PTPRCAPPOLBKDM4EKMT2ALMNA
SCHEMBL30637531 0.84 PTPRCAP (0.72) PTPRCAPPOLBKDM4EKMT2ALMNA
Actinodaphnine SCHEMBL674832 0.83 KDM4E (1.00) PTPRCAPPOLBKDM4EKMT2ALMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118703454-A Cytochrome P450 enzyme from stephania tetrandra and application thereof in biosynthesis of aporphine alkaloid compound 中国中医科学院中药研究所 2024-09-27 CN claimed
CN-118547022-A Preparation method of aporphine alkaloid compound and related catalytic enzyme and application thereof 中国中医科学院中药研究所 2024-08-27 CN claimed
CN-118703454-A Cytochrome P450 enzyme from stephania tetrandra and application thereof in biosynthesis of aporphine alkaloid compound 中国中医科学院中药研究所 2024-09-27 CN disclosed
CN-118547022-A Preparation method of aporphine alkaloid compound and related catalytic enzyme and application thereof 中国中医科学院中药研究所 2024-08-27 CN disclosed