SCHEMBL28014267

SCHEMBL28014267

C=Cc1ccccc1-c1cc(=O)c2cc(OC)c(OC)cc2o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
CYP3A4 P08684 5/20 0.62
HPGD P15428 5/20 0.62
KDM4E B2RXH2 5/20 0.62
CYP2C19 P33261 4/20 0.62
HSD17B10 Q99714 4/20 0.62
CYP2C9 P11712 2/20 0.62
AR P10275 1/20 0.54
TSHR P16473 2/20 0.53
TP53 P04637 2/20 0.51
CYP2D6 P10635 2/20 0.51
MAPT P10636 4/20 0.50
NPC1 O15118 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ACHE P22303 3/20 0.50
CYP1A2 P05177 2/20 0.50
RAB9A P51151 2/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 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
SCHEMBL27834418 0.80 HPGD (0.61) ALDH1A1CYP3A4HPGDKDM4ECYP2C19
SCHEMBL27883079 0.80 ALDH1A1 (0.65) ALDH1A1CYP3A4HPGDKDM4ECYP2C19
SCHEMBL31527819 0.77 KDM4E (1.00) ALDH1A1CYP3A4HPGDKDM4ECYP2C19
SCHEMBL4650049 0.77 KDM4E (1.00) ALDH1A1CYP3A4HPGDKDM4ECYP2C19
SCHEMBL28003485 0.77 HPGD (0.62) ALDH1A1CYP3A4HPGDKDM4ECYP2C19
SCHEMBL6910616 0.74 CYP1A2 (0.61) ALDH1A1CYP3A4HPGDKDM4ECYP2C19
SCHEMBL29169304 0.74 CYP2C19 (0.67) ALDH1A1CYP3A4HPGDKDM4ECYP2C19
SCHEMBL28182849 0.72 ALDH1A1 (0.65) ALDH1A1CYP3A4HPGDKDM4ECYP2C19
SCHEMBL253522 0.72 HPGD (0.78) ALDH1A1CYP3A4HPGDKDM4ECYP2C19
SCHEMBL31238431 0.71 KDM4E (0.80) ALDH1A1CYP3A4HPGDKDM4ECYP2C19

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-104593443-A Preparation method of agilawood chromone component GUANGDONG INST MICROBIOLOGY 2015-05-06 CN claimed
CN-103651151-B Fungus for promoting aquilaria plants to generate agilawood and application of fungus INST OF MEDICINAL PLANT DEV CHINESE ACADEMY OF MEDICAL SCIENCES HAINAN BRANCH 2015-05-27 CN disclosed
CN-104593443-A Preparation method of agilawood chromone component GUANGDONG INST MICROBIOLOGY 2015-05-06 CN disclosed