SCHEMBL8323167

SCHEMBL8323167

C=CC(=O)[C@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.46
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
USP2 O75604 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL18452554 0.93 PDE4A (0.56) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL27810471 0.93 PDE4A (0.56) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL4373395 0.86 PDE4A (0.39) PDE4ALMNAL3MBTL1TDP1USP2
Adipic Acid SCHEMBL28621332 0.82 PDE4A (0.48) PDE4ALMNAL3MBTL1TDP1USP2
Sebacic Acid SCHEMBL27941053 0.80 PDE4A (0.47) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL6073282 0.80 LMNA (0.37) LMNA
SCHEMBL5919108 0.79 PDE4A (0.48) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL818364 0.79 PDE4A (0.48) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL15948731 0.79 PDE4A (0.48) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL29375023 0.79 PDE4A (0.48) PDE4ALMNAL3MBTL1TDP1USP2

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
EP-0496617-B1 Adenosine kinase inhibitors METABASIS THERAPEUTICS INC (US) 1999-12-01 EP disclosed
US-5864033-A ENZYME INHIBITORS WITH HETEROCYCLIC BASES METABASIS THERAPEUTICS, INC. (US) 1999-01-26 US disclosed
EP-0682519-A4 ADENOSINE KINASE INHIBITORS. GENSIA INC (US) 1997-12-17 EP disclosed
US-5646128-A TREATING INFLAMMATION, SEPSIS, SEPTIC SHOCK, BURNS GENSIA, INC. (US) 1997-07-08 US disclosed
EP-0682519-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1995-11-22 EP disclosed
WO-1994017803-A9 ADENOSINE KINASE INHIBITORS 1994-09-29 WO disclosed
WO-1994017803-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1994-08-18 WO disclosed
WO-1992012718-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1992-08-06 WO disclosed
EP-0496617-A1 Adenosine kinase inhibitors GENSIA, INC. (US) 1992-07-29 EP disclosed