SCHEMBL6062878

SCHEMBL6062878

CCC[C@H](NC(=O)CCS(=O)(=O)Cc1ccccc1)C(O)c1nc2ccccc2o1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
PTPN2 P17706 3/20 0.41
PTPN1 P18031 3/20 0.41
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CTSD P07339 1/20 0.38
BACE1 P56817 1/20 0.38
LMNA P02545 1/20 0.37
SLC12A2 P55011 1/20 0.37
SLC12A5 Q9H2X9 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6063377 1.00 ALDH1A1 (0.44) ALDH1A1PTPN2PTPN1POLBMAPT
SCHEMBL6687626 0.85 PTPN2 (0.37) PTPN2PTPN1
SCHEMBL5424669 0.85 PTPN1 (0.41) ALDH1A1PTPN2PTPN1MAPTHPGD
SCHEMBL5424670 0.85 PTPN1 (0.41) ALDH1A1PTPN2PTPN1MAPTHPGD
SCHEMBL6063374 0.84 ALDH1A1 (0.41) ALDH1A1PTPN2PTPN1MAPTHPGD
SCHEMBL6632738 0.84 PTPN1 (0.38) ALDH1A1PTPN2PTPN1MAPTHPGD
SCHEMBL6630202 0.84 PTPN1 (0.38) ALDH1A1PTPN2PTPN1MAPTHPGD
SCHEMBL6702111 0.84 PTPN1 (0.38) ALDH1A1PTPN2PTPN1MAPTHPGD
SCHEMBL6702107 0.84 PTPN1 (0.38) ALDH1A1PTPN2PTPN1MAPTHPGD
SCHEMBL6695960 0.84 PTPN1 (0.38) ALDH1A1PTPN2PTPN1MAPTHPGD

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-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed