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Sugi Predict / Compounds / SCHEMBL13444201

SCHEMBL13444201

SCHEMBL13444201

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(OCC)nc3c(Cl)cccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.57
▸ PPP3CB P16298 1/20 0.57
▸ CYP3A4 P08684 1/20 0.46

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
SCHEMBL13409500 1.00 CTSB (0.57) CTSBPPP3CBCYP3A4
SCHEMBL13409499 0.96 CTSB (0.61) CTSBPPP3CB
SCHEMBL13409502 0.91 CTSB (0.52) CTSBPPP3CB
SCHEMBL13409509 0.90 CTSB (0.62) CTSBPPP3CBCYP3A4
SCHEMBL13409533 0.90 CTSB (0.70) CTSBPPP3CBCYP3A4
SCHEMBL3373398 0.88 CTSB (0.52) CTSBPPP3CBCYP3A4
SCHEMBL13757863 0.88 CTSB (0.52) CTSBPPP3CBCYP3A4
SCHEMBL8250954 0.86 CTSB (0.57) CTSBPPP3CBCYP3A4
SCHEMBL3375502 0.86 CTSB (0.57) CTSBPPP3CBCYP3A4
SCHEMBL13409508 0.86 CTSB (0.68) CTSBPPP3CBCYP3A4

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
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 — — US disclosed