SCHEMBL11036809

SCHEMBL11036809

O=C1C[C@H]2[C@H](N3CCOCC3)[C@@H](O)C[C@H]2O1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP2A13 Q16696 1/20 0.35
▸ PDE4D Q08499 1/20 0.31

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
SCHEMBL11036807 1.00 CYP2A13 (0.35) CYP2A13PDE4D
SCHEMBL11082314 1.00 CYP2A13 (0.35) CYP2A13PDE4D
SCHEMBL11083873 0.86 POLB (0.30) —
SCHEMBL11395824 0.84 — —
SCHEMBL11099317 0.84 — —
SCHEMBL10955628 0.75 CYP2A13 (0.37) CYP2A13PDE4D
SCHEMBL11101727 0.74 — —
SCHEMBL11081873 0.74 — —
SCHEMBL11401026 0.74 — —
SCHEMBL10961344 0.74 — —

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-0032432-B1 PROSTANOID COMPOUNDS AND THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS GLAXO GROUP LIMITED (GB) 1985-07-24 — — EP disclosed
US-4438111-A PROSTAGLANDINS, ANTICOAGULANTS, ANTIASTHMA GLAXO GROUP LIMITED (GB) 1984-03-20 — — US disclosed
US-4438112-A PROSTAGLANDINS, ANTICOAGULANTS, ANTIASTHMA GLAXO GROUP LIMITED (GB) 1984-03-20 — — US disclosed
EP-0032432-A1 Prostanoid compounds and their preparation and pharmaceutical formulations GLAXO GROUP LIMITED (GB) 1981-07-22 — — EP disclosed
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