SCHEMBL25007992

SCHEMBL25007992

C/C=C(\N=C(/CC)C(C)CCCC)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.37
▸ ACHE P22303 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ FDPS P14324 1/20 0.32
▸ ACE2 Q9BYF1 1/20 0.31
▸ CA2 P00918 2/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL25007269 0.67 CA1 (0.32) CA1
SCHEMBL7944792 0.67 CA1 (0.50) CA1ACHEBACE1FDPSACE2
SCHEMBL15386600 0.66 CA1 (0.45) CA1ACHEBACE1FDPSACE2
SCHEMBL10037941 0.66 — —
SCHEMBL7546267 0.66 — —
SCHEMBL859004 0.66 — —
SCHEMBL7916216 0.66 — —
SCHEMBL9242259 0.64 CA1 (0.41) CA1ACHEBACE1FDPSACE2
SCHEMBL19004774 0.64 CA1 (0.52) CA1FDPSACE2CA2MAPK1
SCHEMBL9242261 0.64 CA1 (0.41) CA1ACHEBACE1FDPSACE2

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
EP-4129402-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2023-02-08 — — EP disclosed
Send feedback