SCHEMBL11591007

SCHEMBL11591007

O=C1C2=C(CCCC2)Cc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.55
ACHE P22303 1/20 0.54
CES1 P23141 2/20 0.52
BCHE P06276 1/20 0.52
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
MIF P14174 4/20 0.42
MAOB P27338 2/20 0.42
CYP2A6 P11509 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 3/20 0.41
TDP2 O95551 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39
CASP6 P55212 1/20 0.39
CASP8 Q14790 1/20 0.39

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
SCHEMBL13120272 0.96 MAOA (0.55) MAOAACHECES1BCHEALDH1A1
1,1-Dichloroethene SCHEMBL11617955 0.91 ACHE (0.47) MAOAACHECES1BCHEALDH1A1
SCHEMBL9781046 0.89 MAOA (0.59) MAOAACHECES1BCHEALDH1A1
SCHEMBL8160719 0.87 ACHE (0.70) MAOAACHECES1BCHEALDH1A1
SCHEMBL202264 0.84 TSHR (0.44) MAOAACHECES1BCHEALDH1A1
Lithium SCHEMBL7545662 0.82 SIGMAR1 (0.43) MAOAACHECES1BCHEALDH1A1
Methane SCHEMBL5909544 0.82 SIGMAR1 (0.43) MAOAACHECES1BCHEALDH1A1
Potassium SCHEMBL7551769 0.82 SIGMAR1 (0.43) MAOAACHECES1BCHEALDH1A1
SCHEMBL7943906 0.79 ACHE (0.64) MAOAACHECES1BCHEALDH1A1
SCHEMBL732656 0.78 MAOA (0.73) MAOAACHECES1BCHEALDH1A1

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-110734939-A Method for producing bostrycin by solid state fermentation of HCH285 strain 湖北省荆楚药材研究院 2020-01-31 CN disclosed
CN-110066761-A Domestication and culture method of the Chinese mugwort endogenetic fungus HCH285 in tea matrix 华中农业大学 2019-07-30 CN disclosed
CN-109965036-A A kind of fermented tea and preparation method thereof containing bostrycin 华中农业大学 2019-07-05 CN disclosed
US-4087458-A Process for preparation of 2-(amylbenzoyl)benzoic acid YAMAMOTO KAGAKU GOSEI CO., LTD. (JA) 1978-05-02 US disclosed