SCHEMBL25699306

SCHEMBL25699306

CC(C)CC(C)(CC(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 19/20 0.53
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL30326251 0.91 AAK1 (0.50) AAK1
SCHEMBL15241159 0.91 AAK1 (0.50) AAK1
SCHEMBL15618422 0.85 AAK1 (0.46) AAK1
SCHEMBL13827740 0.84 CA1 (0.44) AAK1CA1CA2CA7
SCHEMBL6646451 0.82 AAK1 (0.45) AAK1CA1CA2CA7
SCHEMBL56735 0.79 FPR2 (0.46) AAK1CA1CA2CA7
SCHEMBL3821271 0.79 FPR2 (0.46) AAK1CA1CA2CA7
SCHEMBL5422252 0.79 DGAT1 (0.42) AAK1CA1CA2CA7
SCHEMBL3823963 0.79 FPR2 (0.46) AAK1CA1CA2CA7
SCHEMBL8981149 0.79 CTSK (0.43) AAK1CA1CA2CA7

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-2023121207-A1 PHARMACEUTICAL COMPOSITION, WHICH INHIBITS AAK1, FOR PREVENTING OR TREATING VIRAL DISEASES OR BRAIN DISEASES 재단법인 대구경북첨단의료산업진흥재단 2023-06-29 WO disclosed