SCHEMBL11729168

SCHEMBL11729168

COc1c(C)cc(C(=O)c2c(-c3ccc(OCCBr)cc3)oc3ccccc23)cc1C

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ APP P05067 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ BCHE P06276 10/20 0.54
▸ CNR1 P21554 6/20 0.54
▸ CNR2 P34972 6/20 0.54
▸ ACHE P22303 3/20 0.51
▸ ATM Q13315 1/20 0.50

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
SCHEMBL11733902 0.90 L3MBTL1 (0.58) L3MBTL1APPBCHECNR1CNR2
SCHEMBL11733557 0.89 L3MBTL1 (0.65) L3MBTL1APPBCHECNR1CNR2
SCHEMBL11734542 0.89 APP (0.68) L3MBTL1APPCYP2C19BCHECNR1
SCHEMBL11729101 0.88 APP (0.63) L3MBTL1APPBCHECNR1CNR2
SCHEMBL11732453 0.87 L3MBTL1 (0.78) L3MBTL1APPBCHECNR1CNR2
SCHEMBL11672097 0.84 CYP2C19 (0.67) L3MBTL1CYP2C19CNR1CNR2ATM
SCHEMBL11729640 0.84 APP (0.59) L3MBTL1APPBCHECNR1CNR2
SCHEMBL11732018 0.84 L3MBTL1 (0.53) L3MBTL1APPBCHECNR1CNR2
SCHEMBL11734779 0.83 APP (0.65) L3MBTL1APPBCHECNR1CNR2
SCHEMBL11729633 0.83 APP (0.70) 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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