Sugi Predict

Sugi Predict / Compounds / SCHEMBL8228964

SCHEMBL8228964

SCHEMBL8228964

CC[C@]1(C(C)C)C[C@@H](C(=O)NC(CC2CCC2)C(O)C(N)=O)N(C(=O)[C@@H](Nc2nc(-c3cnccn3)cs2)C(C)(C)C)C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDF Q9HBH1 4/20 0.32
▸ HTRA1 Q92743 2/20 0.32
▸ CTSB P07858 4/20 0.31
▸ CTSL P07711 2/20 0.30
▸ CTSK P43235 2/20 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
SCHEMBL8225579 0.90 CTSB (0.38) PDFCTSBCTSLCTSK
SCHEMBL11934530 0.89 PDF (0.33) PDFHTRA1CTSBCTSLCTSK
SCHEMBL13063179 0.80 CTSB (0.40) PDFHTRA1CTSBCTSLCTSK
SCHEMBL8228348 0.79 CTSB (0.40) PDFCTSBCTSLCTSK
SCHEMBL11936553 0.79 CTSB (0.40) PDFCTSBCTSLCTSK
SCHEMBL8227913 0.79 CTSV (0.36) HTRA1CTSBCTSLCTSK
SCHEMBL8227912 0.77 HTRA1 (0.35) HTRA1CTSBCTSLCTSK
SCHEMBL11936614 0.72 HTRA1 (0.36) PDFHTRA1CTSBCTSLCTSK
SCHEMBL11938110 0.69 ELANE (0.49) CTSBCTSLCTSK
SCHEMBL12187797 0.69 ELANE (0.49) CTSBCTSLCTSK

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
WO-2007133865-A2 HCV/HIV INHIBITORS AN THEIR USES NOVARTIS AG (CH) 2007-11-22 — — WO disclosed
Send feedback