Sugi Predict

Sugi Predict / Compounds / SCHEMBL4533075

SCHEMBL4533075

SCHEMBL4533075

COc1ccc([C@@H]2CN(C(O)C=O)C[C@@]2(C)[C@@H](C)O)cc1OC[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 12/20 0.42
▸ FFAR1 O14842 4/20 0.35
▸ KDM1A O60341 2/20 0.35
▸ APP P05067 1/20 0.33

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
SCHEMBL4533418 0.89 PDE4B (0.43) PDE4B
SCHEMBL5354650 0.84 PDE4B (0.51) PDE4BFFAR1APP
SCHEMBL5354655 0.84 PDE4B (0.51) PDE4BFFAR1APP
SCHEMBL4533072 0.84 PDE4B (0.51) PDE4BFFAR1APP
SCHEMBL14576495 0.84 PDE4B (0.51) PDE4BFFAR1APP
SCHEMBL7643712 0.84 PDE4B (0.51) PDE4BFFAR1APP
SCHEMBL4526028 0.82 PDE4B (0.42) PDE4B
SCHEMBL7617153 0.82 PDE4B (0.42) PDE4B
SCHEMBL4535539 0.81 PDE4B (0.42) PDE4B
SCHEMBL4517491 0.80 PDE4B (0.41) PDE4B

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
JP-4294903-B2 — — 2009-07-15 — — JP claimed
JP-2003519135-A — — 2003-06-17 — — JP claimed
EP-1242400-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2002-09-25 — — EP claimed
WO-2001047905-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2001-07-05 — — WO claimed