SCHEMBL9753575

SCHEMBL9753575

CC(C)(C)OC(=O)N[C@@H](I)CCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CTSK P43235 13/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSS P25774 8/20 0.42
CYP2D6 P10635 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL27507325 0.90 MEN1 (0.44) CA1CA2CA7CTSKMEN1
SCHEMBL7430206 0.90 MEN1 (0.44) CA1CA2CA7CTSKMEN1
SCHEMBL9752888 0.90 MEN1 (0.44) CA1CA2CA7CTSKMEN1
SCHEMBL16301203 0.82 CA1 (0.46) CA1CA2CA7CTSKMEN1
SCHEMBL8648627 0.82 CA1 (0.46) CA1CA2CA7CTSKMEN1
SCHEMBL5691699 0.82 CA1 (0.46) CA1CA2CA7CTSKMEN1
SCHEMBL2104826 0.81 CA1 (0.50) CA1CA2CA7CTSKMEN1
SCHEMBL23833052 0.81 CA1 (0.49) CA1CA2CA7CTSKMEN1
SCHEMBL1000144 0.81 CA1 (0.49) CA1CA2CA7CTSKMEN1
SCHEMBL7119554 0.81 CA1 (0.49) CA1CA2CA7CTSKMEN1

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-1991008737-A2 PHARMACOLOGICALLY ACTIVE AMIDE CARBOXYLATE DERIVATIVES FISONS PLC (GB) 1991-06-27 WO disclosed