SCHEMBL11733557

SCHEMBL11733557

COc1cc(OC)cc(C(=O)c2c(-c3ccc(OCCBr)cc3)oc3ccccc23)c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.65
▸ CNR2 P34972 9/20 0.59
▸ BCHE P06276 8/20 0.59
▸ CNR1 P21554 8/20 0.59
▸ APP P05067 1/20 0.57
▸ ATM Q13315 1/20 0.56
▸ ACHE P22303 1/20 0.53

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
SCHEMBL11732453 0.92 L3MBTL1 (0.78) L3MBTL1CNR2BCHECNR1APP
SCHEMBL11732468 0.89 APP (0.55) L3MBTL1CNR2BCHECNR1APP
SCHEMBL11733902 0.89 L3MBTL1 (0.58) L3MBTL1CNR2BCHECNR1APP
SCHEMBL11729168 0.89 L3MBTL1 (0.58) L3MBTL1CNR2BCHECNR1APP
SCHEMBL11729101 0.88 APP (0.63) L3MBTL1CNR2BCHECNR1APP
SCHEMBL11736445 0.88 APP (0.69) L3MBTL1CNR2BCHECNR1APP
SCHEMBL11729640 0.87 APP (0.59) L3MBTL1CNR2BCHECNR1APP
SCHEMBL11729633 0.85 APP (0.70) L3MBTL1CNR2BCHECNR1APP
SCHEMBL11729695 0.85 BCHE (0.61) L3MBTL1CNR2BCHECNR1APP
SCHEMBL11734779 0.83 APP (0.65) L3MBTL1CNR2BCHECNR1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4001426-A HAVING CORONARY VASODILATOR ACTIVITY SMITHKLINE CORPORATION (US) 1977-01-04 — — US disclosed
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