SCHEMBL23960456

SCHEMBL23960456

C[C@H](C#Cc1cccc(C(=O)NCCN(c2ccccc2)c2ccccc2)c1)N(O)C(N)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 20/20 1.00
EPHX2 P34913 20/20 1.00

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
SCHEMBL23960440 0.80 ALOX5 (1.00) ALOX5EPHX2
SCHEMBL8305352 0.79 ALOX5 (0.68) ALOX5EPHX2
SCHEMBL9046903 0.76 ALOX5 (0.74) ALOX5EPHX2
SCHEMBL9048674 0.74 ALOX5 (0.71) ALOX5EPHX2
SCHEMBL8782568 0.72 ALOX5 (0.62) ALOX5EPHX2
SCHEMBL9046388 0.71 ALOX5 (1.00) ALOX5EPHX2
SCHEMBL8305355 0.70 ALOX5 (0.58) ALOX5EPHX2
SCHEMBL1927935 0.69 GRM5 (0.65) ALOX5EPHX2
SCHEMBL9047748 0.69 ALOX5 (0.73) ALOX5EPHX2
SCHEMBL9054917 0.68 ALOX5 (0.77) ALOX5EPHX2

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-2021214048-A1 DUAL INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE AND 5-LIPOXYGENASE Johann Wolfgang Goethe-Universität Frankfurt am Main (DE) 2021-10-28 WO disclosed