SCHEMBL8004465

SCHEMBL8004465

CC1(C)OC[C@H]([C@H]2OC[C@H](O)[C@H]2O)O1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ LMNA P02545 1/20 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
SCHEMBL3915946 0.85 CA2 (0.33) CA2CA1CA9THRBLMNA
SCHEMBL3920065 0.85 CA2 (0.33) CA2CA1CA9THRBLMNA
SCHEMBL3927503 0.85 CA2 (0.33) CA2CA1CA9THRBLMNA
SCHEMBL3921039 0.85 CA2 (0.33) CA2CA1CA9THRBLMNA
SCHEMBL3917523 0.85 CA2 (0.33) CA2CA1CA9THRBLMNA
SCHEMBL3920547 0.85 CA2 (0.33) CA2CA1CA9THRBLMNA
SCHEMBL3922565 0.85 CA2 (0.33) CA2CA1CA9THRBLMNA
SCHEMBL3929478 0.85 CA2 (0.33) CA2CA1CA9THRBLMNA
SCHEMBL3917735 0.85 CA2 (0.33) CA2CA1CA9THRBLMNA
SCHEMBL20367413 0.84 CA2 (0.38) CA2CA1CA9

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
US-6077952-A Cephaloporins and homologues PFIZER INC. (US) 2000-06-20 — — US disclosed
US-6020329-A Cephaloporins and homologues, preparations and pharmaceutical compositions PZIFER INC. (US) 2000-02-01 — — US disclosed
EP-0540609-A1 CEPHALOSPORINS AND HOMOLOGUES, PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS PFIZER INC. (US) 1993-05-12 — — EP disclosed
WO-1992001696-A1 CEPHALOSPORINS AND HOMOLOGUES, PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1992-02-06 — — WO disclosed
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