SCHEMBL1139563

SCHEMBL1139563

N#CC1(C(N)=O)CC1[C@]1(C(=O)O)C[C@@H](S(=O)(=O)c2ccccc2C(F)(F)F)C[C@H]1OCc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.39
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
CTSK P43235 2/20 0.34

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
SCHEMBL1139791 1.00 CTSS (0.39) CTSSCTSLCTSBCTSK
SCHEMBL1139726 0.90 CTSS (0.39) CTSSCTSLCTSB
SCHEMBL1139212 0.90 CTSS (0.39) CTSSCTSLCTSB
SCHEMBL1139136 0.87 CTSS (0.39) CTSS
SCHEMBL1139330 0.87 CTSS (0.39) CTSS
SCHEMBL1139047 0.86 CTSS (0.43) CTSS
SCHEMBL1139534 0.86 CTSS (0.43) CTSS
SCHEMBL1139215 0.85 GRM2 (0.34) CTSSCTSLCTSK
SCHEMBL1139350 0.85 GRM2 (0.34) CTSSCTSLCTSK
SCHEMBL1139634 0.85 CTSS (0.41) CTSS

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
US-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 US claimed
US-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 US disclosed