SCHEMBL4602673

SCHEMBL4602673

CCCOC(=O)CC(C)(C)OC=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
HCAR2 Q8TDS4 1/20 0.36
TDP1 Q9NUW8 2/20 0.33
NAAA Q02083 1/20 0.33
DGKA P23743 1/20 0.33
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
ATM Q13315 1/20 0.31
ESR1 P03372 1/20 0.30
CHRM1 P11229 1/20 0.30
TSHR P16473 1/20 0.30
SLC6A2 P23975 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL11465684 0.89 ATM (0.44) ALDH1A1HCAR2TDP1NAAADGKA
SCHEMBL4013581 0.85 GAA (0.43) ALDH1A1TDP1LMNATSHR
SCHEMBL4602614 0.78 ALDH1A1 (0.37) ALDH1A1HCAR2TDP1NAAADGKA
SCHEMBL8744925 0.76 TSHR (0.40) ALDH1A1TDP1TSHR
SCHEMBL15537216 0.76 TSHR (0.39) ALDH1A1TDP1LMNATSHR
SCHEMBL15876208 0.76 NAAA (0.40) ALDH1A1HCAR2TDP1NAAADGKA
SCHEMBL5011564 0.76 RAB9A (0.44) ALDH1A1HCAR2TDP1NAAADGKA
SCHEMBL6351731 0.75 TDP1 (0.42) TDP1
SCHEMBL31058603 0.74 NAAA (0.39) ALDH1A1HCAR2TDP1NAAADGKA
SCHEMBL23293930 0.73 HCAR2 (0.38) ALDH1A1HCAR2TDP1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007509118-A 2007-04-12 JP claimed
EP-1682520-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2006-07-26 EP claimed
WO-2005042502-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2005-05-12 WO claimed
EP-1915350-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2008-04-30 EP disclosed
EP-1856062-A1 4-OXOQUINAZOLIN-3-YL BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CYTOKINE MEDIATED DISEASES AstraZeneca AB (SE) 2007-11-21 EP disclosed
WO-2007020411-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2007-02-22 WO disclosed
WO-2006090143-A1 4-0X0QUINAZ0LIN-3-YL BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CYTOKINE DISEASES ASTRAZENECA AB (SE) 2006-08-31 WO disclosed
EP-1682520-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2006-07-26 EP disclosed
WO-2005042502-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2005-05-12 WO disclosed