SCHEMBL11732453

SCHEMBL11732453

COc1ccc(C(=O)c2c(-c3ccc(OCCBr)cc3)oc3ccccc23)cc1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.78
▸ CNR2 P34972 14/20 0.69
▸ CNR1 P21554 10/20 0.69
▸ BCHE P06276 6/20 0.69
▸ APP P05067 1/20 0.64
▸ ATM Q13315 1/20 0.61

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
SCHEMBL11733557 0.92 L3MBTL1 (0.65) L3MBTL1CNR2CNR1BCHEAPP
SCHEMBL11729633 0.91 APP (0.70) L3MBTL1CNR2CNR1BCHEAPP
SCHEMBL11672632 0.88 APP (0.77) L3MBTL1CNR2CNR1BCHEAPP
SCHEMBL11673509 0.87 APP (0.85) L3MBTL1CNR2CNR1BCHEAPP
SCHEMBL11730748 0.87 APP (0.85) L3MBTL1CNR2CNR1BCHEAPP
SCHEMBL11733902 0.87 L3MBTL1 (0.58) L3MBTL1CNR2CNR1BCHEAPP
SCHEMBL11729168 0.87 L3MBTL1 (0.58) L3MBTL1CNR2CNR1BCHEAPP
SCHEMBL11729101 0.86 APP (0.63) L3MBTL1CNR2CNR1BCHEAPP
SCHEMBL11672630 0.85 BCHE (0.66) L3MBTL1CNR2CNR1BCHEAPP
SCHEMBL11728474 0.85 L3MBTL1 (0.88) L3MBTL1CNR2CNR1BCHEATM

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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