SCHEMBL7420017

SCHEMBL7420017

CCCC(F)OC(=O)N[C@H](CC(=O)N1CCOCC1)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CTSK P43235 6/20 0.44
CTSL P07711 6/20 0.44
CTSB P07858 2/20 0.44
CTSH P09668 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
CTSS P25774 6/20 0.41
FKBP1A P62942 1/20 0.40
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
TGM2 P21980 1/20 0.39
MAPT P10636 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
SCHEMBL25716962 0.82 KLK7 (0.51) MEN1KMT2ANPSR1CTSLCTSS
SCHEMBL5031605 0.82 KLK7 (0.51) MEN1KMT2ANPSR1CTSLCTSS
SCHEMBL30461760 0.80 KMT2A (0.53) MEN1KMT2ANPSR1CTSSFKBP1A
SCHEMBL3127052 0.80 TACR1 (0.51) CTSKCTSLCTSBCTSSITGB3
SCHEMBL30461742 0.77 MEN1 (0.54) MEN1KMT2ANPSR1CTSSFKBP1A
SCHEMBL29400872 0.77 ITGB3 (0.58) MEN1KMT2ANPSR1FKBP1AITGB3
SCHEMBL30461745 0.77 MEN1 (0.56) MEN1KMT2ANPSR1CTSSFKBP1A
SCHEMBL30461756 0.77 MEN1 (0.56) MEN1KMT2ANPSR1CTSSFKBP1A
SCHEMBL30461732 0.76 MEN1 (0.47) MEN1KMT2ANPSR1CTSKCTSL
SCHEMBL30461750 0.76 MEN1 (0.47) MEN1KMT2ANPSR1CTSKCTSL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053226-A1 SULFONYLAMINO DERIVATIVES WHICH INHIBIT MATRIX-DEGRADING METALLOPROTEINASES Novartis AG (CH) 2000-11-22 EP disclosed
WO-1999042443-A1 SULFONYLAMINO DERIVATIVES WHICH INHIBIT MATRIX-DEGRADING METALLOPROTEINASES NOVARTIS AG (CH) 1999-08-26 WO disclosed