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Sugi Predict / Compounds / SCHEMBL7358577

SCHEMBL7358577

SCHEMBL7358577

CC(C)[C@H]1COC(=O)N1C(=O)[C@@H](O)[C@@H](O)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IL6ST P40189 5/20 0.38
▸ STAT3 P40763 1/20 0.36

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
SCHEMBL7542372 0.85 IL6ST (0.40) IL6ST
SCHEMBL7542380 0.85 IL6ST (0.40) IL6ST
SCHEMBL7542377 0.85 IL6ST (0.40) IL6ST
SCHEMBL7358582 0.85 — —
SCHEMBL10531006 0.79 EPHX1 (0.33) —
SCHEMBL9556792 0.79 SPHK1 (0.31) —
SCHEMBL7364784 0.78 IL6ST (0.31) IL6STSTAT3
SCHEMBL9506660 0.78 BACE1 (0.33) —
SCHEMBL9556395 0.77 — —
SCHEMBL9556423 0.77 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415981-A4 RETROVIRAL PROTEASE INHIBITORS — 1991-10-09 — — EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 — — EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 — — EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 — — WO disclosed