SCHEMBL30165693

SCHEMBL30165693

O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)NC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL28431225 0.80 EPHX2 (1.00) EPHX2
SCHEMBL3937889 0.77 EPHX2 (0.83) EPHX2
SCHEMBL28425569 0.76 EPHX2 (1.00) EPHX2
SCHEMBL3937940 0.76 EPHX2 (0.72) EPHX2
SCHEMBL28423740 0.74 EPHX2 (1.00) EPHX2
SCHEMBL24691047 0.73 EPHX2 (0.68) EPHX2
SCHEMBL30165708 0.72 EPHX2 (0.61) EPHX2
SCHEMBL28424057 0.72 EPHX2 (1.00) EPHX2
SCHEMBL30165688 0.71 EPHX2 (0.62) EPHX2
SCHEMBL29978592 0.71 EPHX2 (0.82) 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-111423396-B sEH inhibitor, and preparation method and application thereof 沈阳药科大学 2023-01-06 CN claimed
CN-111423396-B sEH inhibitor, and preparation method and application thereof 沈阳药科大学 2023-01-06 CN disclosed