SCHEMBL11729101

SCHEMBL11729101

Cc1cc(C)cc(C(=O)c2c(-c3ccc(OCCBr)cc3)oc3ccccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.63
▸ BCHE P06276 16/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ ACHE P22303 8/20 0.55
▸ CNR1 P21554 7/20 0.54
▸ CNR2 P34972 6/20 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
SCHEMBL11734779 0.95 APP (0.65) APPBCHEL3MBTL1ACHECNR1
SCHEMBL11733557 0.88 L3MBTL1 (0.65) APPBCHEL3MBTL1ACHECNR1
SCHEMBL11731490 0.88 APP (0.76) APPBCHEL3MBTL1ACHECNR1
SCHEMBL11729168 0.88 L3MBTL1 (0.58) APPBCHEL3MBTL1ACHECNR1
SCHEMBL11732317 0.88 APP (0.64) APPBCHEL3MBTL1ACHECNR1
SCHEMBL11729640 0.88 APP (0.59) APPBCHEL3MBTL1ACHECNR1
SCHEMBL11732345 0.87 APP (0.84) APPBCHEACHECNR1CNR2
SCHEMBL11731802 0.87 APP (0.68) APPBCHEACHECNR1CNR2
SCHEMBL11729633 0.86 APP (0.70) APPBCHEL3MBTL1ACHECNR1
SCHEMBL11732453 0.86 L3MBTL1 (0.78) APPBCHEL3MBTL1CNR1CNR2

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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