Bisdionin D

Bisdionin D

SCHEMBL16120988

Cn1cnc2c1c(=O)n(CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)c(=O)n2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 8/20 0.79
▸ TNF P01375 3/20 0.79
▸ ACHE P22303 2/20 0.79
▸ PDE4A P27815 2/20 0.79
▸ PDE4B Q07343 2/20 0.79
▸ PDE4C Q08493 2/20 0.79
▸ PDE4D Q08499 2/20 0.79
▸ USP2 O75604 1/20 0.79
▸ LMNA P02545 1/20 0.79
▸ CYP1A2 P05177 1/20 0.79
▸ TSHR P16473 1/20 0.79
▸ NFKB1 P19838 1/20 0.79
▸ PMP22 Q01453 1/20 0.79
▸ SMN1; SMN2 Q16637 1/20 0.79
▸ RXFP1 Q9HBX9 1/20 0.79
▸ CHIT1 Q13231 1/20 0.71
▸ CHIA Q9BZP6 1/20 0.71
▸ GLA P06280 1/20 0.68
▸ BLM P54132 1/20 0.68
▸ ADORA2A P29274 2/20 0.67

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
SCHEMBL16120981 0.98 ADORA2B (0.77) ADORA2BTNFACHEPDE4APDE4B
Bisdionin C SCHEMBL10018600 0.97 CHIT1 (0.75) ADORA2BTNFACHEPDE4APDE4B
SCHEMBL11300380 0.94 ADORA2B (0.71) ADORA2BTNFACHEPDE4APDE4B
SCHEMBL266179 0.94 PDE4A (0.72) ADORA2BTNFACHEPDE4APDE4B
Bisdionin B SCHEMBL29896692 0.93 ADORA2B (0.74) ADORA2BTNFACHEPDE4APDE4B
SCHEMBL23144749 0.93 PDE4A (0.70) ADORA2BTNFACHEPDE4APDE4B
SCHEMBL6778608 0.93 ADORA2B (0.74) ADORA2BTNFACHEPDE4APDE4B
Pentifylline SCHEMBL147256 0.93 PDE4A (0.70) ADORA2BTNFACHEPDE4APDE4B
SCHEMBL8852328 0.93 ADORA2B (0.70) ADORA2BTNFACHEPDE4APDE4B
SCHEMBL7305272 0.93 ADORA2B (0.70) ADORA2BTNFACHEPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349317-A1 GAS BARRIER ENHANCING ADDITIVES AND METHODS THE COCA-COLA COMPANY 2017-12-07 — — US disclosed
US-20170349317-A1 GAS BARRIER ENHANCING ADDITIVES AND METHODS THE COCA-COLA COMPANY 2017-12-07 — — US disclosed
US-9764872-B2 Gas barrier enhancing additives and methods THE COCA-COLA COMPANY (US) 2017-09-19 — — US disclosed
US-9764872-B2 Gas barrier enhancing additives and methods THE COCA-COLA COMPANY (US) 2017-09-19 — — US disclosed
US-20160031583-A1 GAS BARRIER ENHANCING ADDITIVES AND METHODS CSPC INNOVATION PHARMACEUTICAL CO., LTD. (CN) 2016-02-04 — — US disclosed
US-20160031583-A1 GAS BARRIER ENHANCING ADDITIVES AND METHODS CSPC INNOVATION PHARMACEUTICAL CO., LTD. (CN) 2016-02-04 — — US disclosed
WO-2014152788-A1 GAS BARRIER ENHANCING ADDITIVES AND METHODS THE COCA-COLA-COMPANY (US) 2014-09-25 — — WO disclosed
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