SCHEMBL7500286

SCHEMBL7500286

CSCC[C@@H](N)C(O)C(=O)O.CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.56
CTSK P43235 2/20 0.56
TSHR P16473 2/20 0.46
CA2 P00918 1/20 0.44
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
EPHX2 P34913 1/20 0.42
KLK7 P49862 1/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
USP2 O75604 1/20 0.39
KLK5 Q9Y337 1/20 0.39
BACE1 P56817 3/20 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
SCHEMBL478905 0.88 CTSS (0.68) CTSSCTSKTSHRCA2EPHX2
SCHEMBL4395744 0.88 CTSS (0.68) CTSSCTSKTSHRCA2EPHX2
SCHEMBL352156 0.88 CTSS (0.68) CTSSCTSKTSHRCA2EPHX2
SCHEMBL1486229 0.88 CTSS (0.68) CTSSCTSKTSHRCA2EPHX2
Methanesulfonamide SCHEMBL6777577 0.83 CTSS (0.60) CTSSCTSKTSHRCA2EPHX2
Methanesulfonamide SCHEMBL6898028 0.83 CTSS (0.60) CTSSCTSKTSHRCA2EPHX2
Hydrochloric Acid SCHEMBL8461076 0.81 CTSS (0.52) CTSSCTSKTSHRCA2EPHX2
Hydrochloric Acid SCHEMBL8461075 0.81 CTSS (0.52) CTSSCTSKTSHRCA2EPHX2
SCHEMBL7874192 0.81 CTSS (0.57) CTSSCTSKTSHRCA2EPHX2
SCHEMBL7874195 0.81 CTSS (0.57) CTSSCTSKTSHRCA2EPHX2

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-1073633-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 2001-02-07 EP disclosed
WO-1999057098-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 1999-11-11 WO disclosed