SCHEMBL6993946

SCHEMBL6993946

CC(C)Cn1c(=O)n(C)c(=O)c2c(SCCC(C)C(=O)O)n(Cc3cccc4ccccc34)nc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 7/20 0.54
CYP2C9 P11712 4/20 0.46
MAPKAPK2 P49137 1/20 0.46
CAMK2B Q13554 1/20 0.46
HIPK4 Q8NE63 1/20 0.46
LMNA P02545 2/20 0.40
PDE5A O76074 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
PDE1A P54750 2/20 0.39
PDE1B Q01064 2/20 0.39
PDE1C Q14123 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 3/20 0.37
USP2 O75604 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL5403895 0.89 SLC16A1 (0.58) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5413437 0.88 SLC16A1 (0.56) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5403281 0.88 SLC16A1 (0.70) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5405605 0.86 SLC16A1 (0.51) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5413401 0.85 SLC16A1 (0.56) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5402703 0.84 SLC16A1 (0.54) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL7503048 0.83 SLC16A1 (0.78) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5407645 0.80 SLC16A1 (0.47) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5400640 0.79 SLC16A1 (0.54) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5400115 0.79 SLC16A1 (0.52) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4

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
EP-0975636-B1 1H-PYRAZOLO[3,4-D]PYRIMIDINE-4,6-DIONES AS T-CELL PROLIFERATION INHIBITORS ASTRAZENECA AB (SE) 2003-07-23 EP claimed
EP-0975636-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 2000-02-02 EP claimed
WO-1998046606-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-22 WO claimed
EP-0975636-B1 1H-PYRAZOLO[3,4-D]PYRIMIDINE-4,6-DIONES AS T-CELL PROLIFERATION INHIBITORS ASTRAZENECA AB (SE) 2003-07-23 EP disclosed
US-6028074-A FOR TREATING ALLOGRAFT REJECTION ASTRA PHARMACEUTICALS, LTD. (GB) 2000-02-22 US disclosed
EP-0975636-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 2000-02-02 EP disclosed
WO-1998046606-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-22 WO disclosed