SCHEMBL6281715

SCHEMBL6281715

O=C(O)C1=C(C(=O)OC(=O)C2C(C(=O)O)C2C(=O)O)CCC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DHODH Q02127 1/20 0.31

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
SCHEMBL6281708 0.82 KDM4E (0.41) KDM4EPOLBL3MBTL1DHODH
SCHEMBL252316 0.80 DHODH (0.38) DHODH
SCHEMBL1207568 0.76 SLC6A2 (0.37) DHODH
SCHEMBL2646143 0.76 SLC6A2 (0.37) DHODH
SCHEMBL9753632 0.72 ELANE (0.36)
SCHEMBL252263 0.71 DHODH (0.45) DHODH
SCHEMBL9561660 0.69 SLC6A3 (0.50) DHODH
SCHEMBL15400430 0.68 POLB (0.35) KDM4EPOLB
SCHEMBL4344019 0.68 POLB (0.35) KDM4EPOLB
SCHEMBL17024326 0.66 DHODH (0.41) DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005123913-A2 REVERSIBLY MODIFIED THERMOSTABLE ENZYME COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME NUSTAR LABORATORY (US) 2005-12-29 WO disclosed