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Sugi Predict / Compounds / SCHEMBL14350366

SCHEMBL14350366

SCHEMBL14350366

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)c1cccs1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.81
▸ CTSB P07858 1/20 0.43
▸ PPP3CB P16298 1/20 0.43

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
SCHEMBL14376839 0.94 CYP3A4 (0.72) CYP3A4CTSBPPP3CB
SCHEMBL14350367 0.92 CYP3A4 (0.84) CYP3A4
SCHEMBL14350383 0.92 CYP3A4 (0.86) CYP3A4
SCHEMBL14350359 0.91 CYP3A4 (0.79) CYP3A4CTSBPPP3CB
SCHEMBL23633748 0.90 CYP3A4 (1.00) CYP3A4
SCHEMBL12772968 0.90 CYP3A4 (1.00) CYP3A4
SCHEMBL12054434 0.90 CYP3A4 (1.00) CYP3A4
SCHEMBL14350361 0.90 CYP3A4 (0.80) CYP3A4CTSBPPP3CB
SCHEMBL5969691 0.89 CYP3A4 (0.85) CYP3A4CTSBPPP3CB
SCHEMBL16470952 0.89 CYP3A4 (0.85) CYP3A4CTSBPPP3CB

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-7309708-B2 Hepatitis C virus inhibitors BIRSTOL-MYERS SQUIBB COMPANY (US) 2007-12-18 — — US disclosed