Sugi Predict

Sugi Predict / Compounds / SCHEMBL8291250

SCHEMBL8291250

SCHEMBL8291250

CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H](Oc2nc(-c3ccccc3)nc3ccccc23)C[C@H]1C(=O)O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 13/20 0.45
▸ CYP3A4 P08684 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL16470934 0.94 ELANE (0.39) ELANECYP3A4ABCG2
SCHEMBL8291248 0.94 ELANE (0.44) ELANECYP3A4ABCG2
SCHEMBL12779397 0.94 ELANE (0.46) ELANECYP3A4ABCG2
SCHEMBL14013035 0.90 CYP3A4 (0.47) ELANECYP3A4
SCHEMBL12054456 0.90 CYP3A4 (0.47) ELANECYP3A4
SCHEMBL15178633 0.90 CYP3A4 (0.47) ELANECYP3A4
SCHEMBL12772801 0.90 CYP3A4 (0.47) ELANECYP3A4
SCHEMBL12053600 0.86 CYP3A4 (0.47) ELANECYP3A4
SCHEMBL15178632 0.86 CYP3A4 (0.47) ELANECYP3A4
SCHEMBL14013034 0.86 CYP3A4 (0.47) ELANECYP3A4

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-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-09 — — WO disclosed