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SCHEMBL11729633

SCHEMBL11729633

CCCCOc1ccc(C(=O)c2c(-c3ccc(OCCBr)cc3)oc3ccccc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.70
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ BCHE P06276 11/20 0.62
▸ CNR1 P21554 8/20 0.62
▸ CNR2 P34972 8/20 0.62
▸ ACHE P22303 5/20 0.61
▸ SLC2A1 P11166 1/20 0.57
▸ KDM5A P29375 1/20 0.56
▸ KDM7A Q6ZMT4 1/20 0.56

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 0.91 L3MBTL1 (0.78) APPL3MBTL1BCHECNR1CNR2
SCHEMBL11726658 0.89 APP (0.82) APPL3MBTL1BCHECNR1CNR2
SCHEMBL11672630 0.88 BCHE (0.66) APPL3MBTL1BCHECNR1CNR2
SCHEMBL11729695 0.87 BCHE (0.61) APPL3MBTL1BCHECNR1CNR2
SCHEMBL11672403 0.86 APP (0.75) APPL3MBTL1BCHECNR1CNR2
SCHEMBL11729640 0.86 APP (0.59) APPL3MBTL1BCHECNR1CNR2
SCHEMBL11729101 0.86 APP (0.63) APPL3MBTL1BCHECNR1CNR2
SCHEMBL11732934 0.86 APP (0.58) APPL3MBTL1BCHECNR1CNR2
SCHEMBL11672546 0.85 APP (0.87) APPL3MBTL1BCHECNR1CNR2
SCHEMBL11733557 0.85 L3MBTL1 (0.65) APPL3MBTL1BCHECNR1CNR2

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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