SCHEMBL7709249

SCHEMBL7709249

CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.56
CTSS P25774 4/20 0.55
CTSK P43235 3/20 0.55
KLK5 Q9Y337 1/20 0.53
KLK7 P49862 1/20 0.51
BACE1 P56817 7/20 0.50
REN P00797 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
BCL2 P10415 1/20 0.47
BACE2 Q9Y5Z0 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL30193288 0.85 CTSS (0.64) CTSSCTSKRENALDH1A1MEN1
SCHEMBL31291804 0.82 CTSK (0.65) CA2CTSSCTSKKLK5BACE1
SCHEMBL11105884 0.81 ACE (0.61) CA2CTSSCTSKKLK5BACE1
SCHEMBL23975809 0.80 CTSS (0.61) CA2CTSSCTSKKLK5KLK7
SCHEMBL7414154 0.80 CTSS (0.61) CA2CTSSCTSKKLK5KLK7
SCHEMBL7414151 0.80 CTSS (0.61) CA2CTSSCTSKKLK5KLK7
SCHEMBL8211102 0.80 KLK7 (0.56) CA2CTSSCTSKKLK5KLK7
SCHEMBL6619713 0.80 KLK7 (0.58) CA2CTSSCTSKKLK5KLK7
SCHEMBL6619716 0.80 KLK7 (0.58) CA2CTSSCTSKKLK5KLK7
SCHEMBL12873043 0.79 KLK7 (0.65) CA2CTSSCTSKKLK5KLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6414145-B1 TREATING CANCER AND NEUROFIBROMATOSIS ZENECA LIMITED (GB) 2002-07-02 US disclosed
EP-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 EP disclosed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 WO disclosed