Sugi Predict

Sugi Predict / Compounds / SCHEMBL8290303

SCHEMBL8290303

SCHEMBL8290303

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3ccccc23)CN1C(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C1(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.54
▸ MCL1 Q07820 9/20 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
SCHEMBL7873442 0.91 CYP3A4 (0.56) CYP3A4MCL1
SCHEMBL8290294 0.90 CYP3A4 (0.68) CYP3A4
SCHEMBL8285634 0.90 CYP3A4 (0.68) CYP3A4
SCHEMBL8262017 0.87 CYP3A4 (0.68) CYP3A4
SCHEMBL16470944 0.87 CYP3A4 (0.48) CYP3A4MCL1
SCHEMBL16470979 0.87 CYP3A4 (0.57) CYP3A4
SCHEMBL16470941 0.86 CYP3A4 (0.58) CYP3A4
SCHEMBL16470928 0.84 CYP3A4 (0.60) CYP3A4
SCHEMBL3810622 0.84 CYP3A4 (0.53) CYP3A4MCL1
SCHEMBL8142264 0.84 CYP3A4 (0.53) CYP3A4MCL1

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