SCHEMBL11732018

SCHEMBL11732018

COc1cc(C(=O)c2c(-c3ccc(OCCBr)cc3)oc3ccccc23)c(OC)cc1C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.53
▸ APP P05067 1/20 0.52
▸ BCHE P06276 12/20 0.51
▸ CNR1 P21554 6/20 0.50
▸ CNR2 P34972 4/20 0.50
▸ ATM Q13315 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ACHE P22303 3/20 0.47

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
SCHEMBL11732000 0.89 APP (0.63) L3MBTL1APPBCHECNR1CNR2
SCHEMBL11729168 0.84 L3MBTL1 (0.58) L3MBTL1APPBCHECNR1CNR2
SCHEMBL11733902 0.84 L3MBTL1 (0.58) L3MBTL1APPBCHECNR1CNR2
SCHEMBL11733557 0.82 L3MBTL1 (0.65) L3MBTL1APPBCHECNR1CNR2
SCHEMBL11732453 0.82 L3MBTL1 (0.78) L3MBTL1APPBCHECNR1CNR2
SCHEMBL11729101 0.81 APP (0.63) L3MBTL1APPBCHECNR1CNR2
SCHEMBL11729633 0.78 APP (0.70) L3MBTL1APPBCHECNR1CNR2
SCHEMBL11729640 0.78 APP (0.59) L3MBTL1APPBCHECNR1CNR2
SCHEMBL11732934 0.77 APP (0.58) L3MBTL1APPBCHECNR1CNR2
SCHEMBL11734779 0.77 APP (0.65) L3MBTL1APPBCHECNR1CNR2

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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