SCHEMBL29974553

SCHEMBL29974553

O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC1CCN(C(=O)c2ccc(C(=O)NO)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 20/20 0.74

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
SCHEMBL28877736 1.00 EPHX2 (0.74) EPHX2
SCHEMBL28877776 0.85 EPHX2 (0.78) EPHX2
SCHEMBL19012103 0.85 EPHX2 (1.00) EPHX2
SCHEMBL17114592 0.83 EPHX2 (1.00) EPHX2
SCHEMBL17114637 0.82 EPHX2 (1.00) EPHX2
SCHEMBL31315636 0.82 EPHX2 (1.00) EPHX2
SCHEMBL19011828 0.82 EPHX2 (0.83) EPHX2
SCHEMBL17130480 0.81 EPHX2 (1.00) EPHX2
SCHEMBL31315634 0.81 EPHX2 (1.00) EPHX2
SCHEMBL31727982 0.80 EPHX2 (0.84) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115141123-B Compound, preparation method thereof and application thereof in preparation of dual inhibitors of histone deacetylase and epoxide hydrolase 沈阳药科大学 2024-05-17 CN disclosed
CN-115141123-A Compound, preparation method thereof and application thereof in preparation of histone deacetylase and epoxide hydrolase dual inhibitor 沈阳药科大学 2022-10-04 CN disclosed