SCHEMBL15216165

SCHEMBL15216165

CCOC(=O)[C@]12C[C@@H]1/C=C\CCCCN(C)C(=O)[C@H]1C[C@@H](O)CN1C(=O)N2

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.32
▸ CTSS P25774 1/20 0.30

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
SCHEMBL10283470 1.00 CTSB (0.32) CTSBCTSS
SCHEMBL10283465 1.00 CTSB (0.32) CTSBCTSS
SCHEMBL312570 0.90 CTSB (0.35) CTSBCTSS
SCHEMBL8003568 0.90 CTSB (0.35) CTSBCTSS
SCHEMBL10283820 0.89 CTSB (0.32) CTSB
SCHEMBL16239357 0.87 CTSB (0.33) CTSB
SCHEMBL2837626 0.87 CTSB (0.31) CTSBCTSS
SCHEMBL6760157 0.87 CTSB (0.31) CTSBCTSS
SCHEMBL2837629 0.87 CTSB (0.31) CTSBCTSS
SCHEMBL8245129 0.87 CTSB (0.31) CTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250174-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2013-08-28 — — EP disclosed
Send feedback