SCHEMBL23025713

SCHEMBL23025713

NN/C(Oc1cccc(C#CC2CCCCC2)c1)=C(\N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 9/20 0.49
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
MGLL Q99685 1/20 0.37
PTGES O14684 1/20 0.37
FAAH O00519 1/20 0.37
PRKD1 Q15139 1/20 0.37

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
SCHEMBL23025497 0.99 HAO1 (0.48) HAO1FFAR1FFAR4MGLLPTGES
SCHEMBL23025626 0.97 HAO1 (0.48) HAO1FFAR1FFAR4PTGESPRKD1
SCHEMBL23025490 0.94 HAO1 (0.47) HAO1FFAR1MGLLPTGES
SCHEMBL23025267 0.89 HAO1 (0.43) HAO1FFAR1MGLLPTGES
SCHEMBL23025579 0.89 HAO1 (0.51) HAO1MGLLPTGES
SCHEMBL23025417 0.89 HAO1 (0.51) HAO1MGLLPTGES
SCHEMBL23025349 0.85 FFAR1 (0.45) HAO1FFAR1FFAR4PRKD1
SCHEMBL23025470 0.85 HAO1 (0.54) HAO1PTGES
SCHEMBL23025412 0.84 HAO1 (0.52) HAO1MGLLFAAH
SCHEMBL23025255 0.83 HAO1 (0.45) HAO1FFAR1FFAR4PRKD1

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-2021035196-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. (US) 2021-02-25 WO disclosed