SCHEMBL31716807

SCHEMBL31716807

CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)NCc1ccc(Cl)cc1OC(F)(F)F)C2

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 9/20 0.49
▸ ENPP2 Q13822 2/20 0.46
▸ ATXN2 Q99700 2/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ DDR1 Q08345 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ NAMPT P43490 1/20 0.41

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
SCHEMBL31717178 0.87 EPHX2 (0.52) EPHX2ENPP2ATXN2HDAC1HDAC2
SCHEMBL31717291 0.82 EPHX2 (0.53) EPHX2DDR1
Trifluoroacetic Acid SCHEMBL31716908 0.82 EPHX2 (0.48) EPHX2ENPP2ATXN2DDR1
SCHEMBL30924080 0.81 EPHX2 (0.61) EPHX2ALDH1A1
SCHEMBL14892632 0.79 EPHX2 (0.64) EPHX2ALDH1A1
SCHEMBL31716867 0.77 EPHX2 (0.54) EPHX2DDR1
SCHEMBL31717642 0.77 ENPP2 (0.49) ENPP2ATXN2HDAC1HDAC2ALDH1A1
SCHEMBL31717310 0.77 HDAC1 (0.47) EPHX2ENPP2ATXN2HDAC1HDAC2
SCHEMBL31716823 0.76 EPHX2 (0.52) EPHX2ENPP2ATXN2HDAC1HDAC2
SCHEMBL14892911 0.73 EPHX2 (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025224085-A1 COMPOUNDS CAPABLE OF ACTING ON S1R AS WELL AS ON SEH AND USES THEREOF UNIVERSITAT DE BARCELONA (ES) 2025-10-30 — — WO disclosed
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