Sugi Predict

Sugi Predict / Compounds / SCHEMBL4551148

SCHEMBL4551148

SCHEMBL4551148

CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H](Oc2nccc3ccccc23)C[C@H]1C(=O)O)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.52
▸ ELANE P08246 13/20 0.46
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ ACACB O00763 2/20 0.38

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
SCHEMBL4551149 1.00 CYP3A4 (0.52) CYP3A4ELANEHCRTR1HCRTR2ACACB
SCHEMBL8058779 0.90 CYP3A4 (0.44) CYP3A4ELANEHCRTR1HCRTR2
SCHEMBL8139893 0.89 CYP3A4 (0.56) CYP3A4ELANE
SCHEMBL3372288 0.88 CYP3A4 (0.65) CYP3A4ELANE
SCHEMBL8142617 0.88 CYP3A4 (0.65) CYP3A4ELANE
SCHEMBL8349532 0.88 ELANE (0.46) CYP3A4ELANE
SCHEMBL8349980 0.86 CYP3A4 (0.47) CYP3A4ELANE
SCHEMBL8131033 0.86 CYP3A4 (0.56) CYP3A4ELANEACACB
SCHEMBL12054451 0.85 CYP3A4 (0.45) CYP3A4ELANE
SCHEMBL8348405 0.85 CYP3A4 (0.46) CYP3A4ELANE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009046098-A1 NOVEL CYCLIC BORONATE INHIBITORS OF HCV REPLICATION SMITHKLINE BEECHAM CORPORATION (US) 2009-04-09 — — WO disclosed
WO-2009046098-A1 NOVEL CYCLIC BORONATE INHIBITORS OF HCV REPLICATION SMITHKLINE BEECHAM CORPORATION (US) 2009-04-09 — — WO disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 — — WO disclosed