SCHEMBL28084237

SCHEMBL28084237

NC(=O)c1cccc2c1oc1ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
GLA P06280 1/20 0.59
ALOX5 P09917 3/20 0.55
MAOA P21397 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 4/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
USP2 O75604 1/20 0.41
CSNK2A2 P19784 1/20 0.41
PTGS1 P23219 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL3382929 0.88 MAOA (0.61) ALDH1A1GLAMAOAKDM4EMAPT
SCHEMBL20793973 0.84 ALOX5 (0.45) ALDH1A1GLAALOX5KDM4EGAA
SCHEMBL783749 0.84 NR4A1 (0.50) ALDH1A1GLAALOX5MAOAKDM4E
SCHEMBL516118 0.83 ALOX5 (0.52) ALDH1A1GLAALOX5MAOAHDAC1
SCHEMBL14825579 0.82 ALOX5 (0.48) ALDH1A1GLAALOX5MAOAHDAC1
SCHEMBL22924252 0.82 ALOX5 (0.48) ALDH1A1GLAALOX5MAOAHDAC1
SCHEMBL24791290 0.82 ALOX5 (0.48) ALDH1A1GLAALOX5MAOAHDAC1
SCHEMBL4586057 0.82 ALOX5 (0.48) ALDH1A1GLAALOX5MAOAHDAC1
SCHEMBL2012858 0.80 ALDH1A1 (0.76) ALDH1A1GLAALOX5MAOAKDM4E
SCHEMBL30476189 0.80 ALDH1A1 (0.76) ALDH1A1GLAALOX5MAOAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105902533-B Purposes of the compound cercosporamide in immunopotentiator is prepared 浙江省医学科学院 2018-04-20 CN disclosed
CN-105902533-A Application of compound cercosporamide in preparation of immunoenhancer 浙江省医学科学院 2016-08-31 CN disclosed
CN-105902533-A Application of compound cercosporamide in preparation of immunoenhancer 浙江省医学科学院 2016-08-31 CN disclosed