SCHEMBL6633248

SCHEMBL6633248

N[C@@H](CS(=O)(=O)CC1CC1)C(=O)NCCCC[C@H](O)c1nc2ccccc2o1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTSS P25774 2/20 0.35
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LIPC P11150 1/20 0.33
MAPT P10636 1/20 0.33
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
FASN P49327 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SOAT1 P35610 1/20 0.32

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
SCHEMBL7255683 0.97 LMNA (0.36) LMNAHTTSMN1; SMN2CTSSPTPN2
SCHEMBL6632750 0.85 ALDH1A1 (0.39) PTPN2PTPN1ALDH1A1
SCHEMBL6630204 0.85 ALDH1A1 (0.39) PTPN2PTPN1ALDH1A1
SCHEMBL6632745 0.85 ALDH1A1 (0.39) PTPN2PTPN1ALDH1A1
SCHEMBL7259162 0.83 ALDH1A1 (0.40) PTPN2PTPN1ALDH1A1MTNR1AMTNR1B
SCHEMBL6630258 0.82 MAPT (0.39) MAPT
SCHEMBL6700659 0.79 CTSS (0.35) LMNAHTTSMN1; SMN2CTSSPTPN2
SCHEMBL6633244 0.79 CTSS (0.35) LMNAHTTSMN1; SMN2CTSSPTPN2
SCHEMBL6700654 0.79 CTSS (0.35) LMNAHTTSMN1; SMN2CTSSPTPN2
Hydrochloric Acid SCHEMBL7255797 0.79 CTSS (0.47) LMNAHTTSMN1; SMN2CTSSALDH1A1

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-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO disclosed