SCHEMBL9752888

SCHEMBL9752888

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSK P43235 10/20 0.42
CTSS P25774 6/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CYP2D6 P10635 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38

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 1.00 MEN1 (0.44) MEN1GAAKMT2ACTSKCTSS
SCHEMBL7430206 1.00 MEN1 (0.44) MEN1GAAKMT2ACTSKCTSS
SCHEMBL9753575 0.90 CA1 (0.44) MEN1GAAKMT2ACTSKCTSS
SCHEMBL5031624 0.87 CA1 (0.45) MEN1GAAKMT2ACTSKCTSS
SCHEMBL10772880 0.83 CTSK (0.56) CTSKCTSS
SCHEMBL7221421 0.83 CTSK (0.56) CTSKCTSS
SCHEMBL18866617 0.82 CA1 (0.46) MEN1GAAKMT2ACTSKCTSS
SCHEMBL9396774 0.82 CA1 (0.46) MEN1GAAKMT2ACTSKCTSS
SCHEMBL27490793 0.82 MEN1 (0.45) MEN1GAAKMT2ACTSKCTSS
SCHEMBL3431559 0.81 CTSK (0.51) MEN1GAAKMT2ACTSKCTSS

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