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SCHEMBL8284751

SCHEMBL8284751

C=CC1C[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(=O)O

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.71
▸ CTSB P07858 2/20 0.50
▸ PPP3CB P16298 1/20 0.50

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
SCHEMBL14376840 1.00 CYP3A4 (0.71) CYP3A4CTSBPPP3CB
SCHEMBL8290309 0.93 CYP3A4 (0.82) CYP3A4CTSBPPP3CB
SCHEMBL8291213 0.92 CYP3A4 (0.68) CYP3A4CTSBPPP3CB
SCHEMBL3407956 0.91 CYP3A4 (0.72) CYP3A4CTSBPPP3CB
SCHEMBL13757652 0.91 CYP3A4 (0.72) CYP3A4CTSBPPP3CB
SCHEMBL14038608 0.89 CYP3A4 (0.57) CYP3A4CTSBPPP3CB
SCHEMBL14376839 0.88 CYP3A4 (0.72) CYP3A4CTSBPPP3CB
SCHEMBL14376866 0.88 CYP3A4 (0.71) CYP3A4CTSBPPP3CB
SCHEMBL14376987 0.87 CYP3A4 (0.68) CYP3A4CTSBPPP3CB
SCHEMBL14377213 0.87 CYP3A4 (0.70) 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
WO-2005051410-A9 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-07-28 — — WO disclosed