SCHEMBL28885269

SCHEMBL28885269

CC(=O)CS(=O)(=O)NC1CCCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 16/20 0.64
▸ POLB P06746 1/20 0.51
▸ SCN9A Q15858 1/20 0.49
▸ EPHX1 P07099 2/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ LIPE Q05469 1/20 0.46
▸ ACHE P22303 1/20 0.46

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
SCHEMBL23389220 1.00 EPHX2 (0.64) EPHX2POLBSCN9AEPHX1CYP2C9
SCHEMBL23389248 0.90 EPHX2 (0.61) EPHX2POLBSCN9AEPHX1CYP2C9
SCHEMBL25987957 0.89 EPHX2 (0.64) EPHX2POLBSCN9AEPHX1CYP2C9
SCHEMBL25987958 0.87 EPHX2 (0.62) EPHX2POLBSCN9ACYP2C9CYP2C19
SCHEMBL23389093 0.86 EPHX2 (0.61) EPHX2POLBSCN9AEPHX1CYP2C9
SCHEMBL23389102 0.83 EPHX2 (0.64) EPHX2POLBSCN9AEPHX1CYP2C9
SCHEMBL25987740 0.83 EPHX2 (0.64) EPHX2POLBSCN9AEPHX1CYP2C9
SCHEMBL23419215 0.83 EPHX2 (0.63) EPHX2POLBSCN9AEPHX1CYP2C9
SCHEMBL23418851 0.83 EPHX2 (0.63) EPHX2POLBSCN9AEPHX1CYP2C9
SCHEMBL23389242 0.83 EPHX2 (0.56) EPHX2POLBSCN9AEPHX1CYP2C9

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
CN-115335039-A Caspase 6 inhibitors and uses thereof 加利福尼亚大学董事会 2022-11-11 — — CN disclosed
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