SCHEMBL28130992

SCHEMBL28130992

Cn1c(=O)n(CCCCO)c(=O)c2[nH]cnc21

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.75
PDE4B Q07343 8/20 0.75
PDE4C Q08493 8/20 0.75
PDE4D Q08499 8/20 0.75
ADORA2A P29274 7/20 0.75
ADORA2B P29275 9/20 0.70
ADORA3 P0DMS8 5/20 0.65
CHIT1 Q13231 1/20 0.65
CHIA Q9BZP6 1/20 0.65
CFTR P13569 1/20 0.63
ATAD2 Q6PL18 1/20 0.59
PIK3CD O00329 1/20 0.57
ALPL P05186 1/20 0.57
TMIGD3 P0DMS9 1/20 0.57
ADORA1 P30542 1/20 0.57
CYP2C19 P33261 1/20 0.57
HIF1A Q16665 1/20 0.57

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
SCHEMBL10854933 0.99 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL9430800 0.99 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL16058829 0.96 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DADORA2A
Sulfuric Acid SCHEMBL29003546 0.93 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21381258 0.87 PDE4A (0.92) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL9430425 0.86 PDE4A (0.92) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL9430292 0.86 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL9431257 0.86 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3421652 0.86 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7458212 0.86 PDE4A (0.89) PDE4APDE4BPDE4CPDE4DADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107823410-A A kind of Diprophylline tablet and preparation method thereof 华益药业科技(安徽)有限公司 2018-03-23 CN claimed
CN-109890366-A Combination medicine for treating cardiovascular diseases and preparation and use methods thereof 美进医药公司 2019-06-14 CN disclosed
CN-105744932-B For treating the composition comprising Torasemide and Baclofen of neurological disorder 法耐斯特公司 2019-01-08 CN disclosed
CN-109071493-A Pesticidally active heterocyclic derivatives with sulphur containing substituents 先正达参股股份有限公司 2018-12-21 CN disclosed
CN-107157964-A Coordinate the Foradil Aerolizer formoterol fumarate and its preparation and application of pollen shape carbohydrate carrier 谭淞文 2017-09-15 CN disclosed
CN-104098567-B Diprophylline crystalline substance II types material and preparation method and its pharmaceutical composition and purposes 中国医学科学院药物研究所 2017-07-28 CN disclosed
CN-106715428-A Pesticidally active tetracyclic derivatives with sulphur containing substituents 先正达参股股份有限公司 2017-05-24 CN disclosed
CN-106604922-A Pesticidally active heterocyclic derivatives with sulphur containing substituents 先正达参股股份有限公司 2017-04-26 CN disclosed
CN-106573891-A Pesticidally active heterocyclic derivatives with sulphur containing substituents 先正达参股股份有限公司 2017-04-19 CN disclosed
CN-106488914-A Tool with sulfur-bearing substituent kills harmful organism active heterocycles derivative 先正达参股股份有限公司 2017-03-08 CN disclosed