SCHEMBL11672968

SCHEMBL11672968

CCN(CC)CCCOc1ccc(C(=O)c2c(-c3cc(OC)c(OC)c(OC)c3)oc3ccccc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.73
▸ BCHE P06276 12/20 0.59
▸ CNR2 P34972 6/20 0.59
▸ ACHE P22303 6/20 0.59
▸ CNR1 P21554 7/20 0.59
▸ TERT O14746 2/20 0.54
▸ SLC2A1 P11166 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL11673109 0.91 APP (0.75) APPBCHECNR2ACHECNR1
SCHEMBL11727691 0.88 APP (0.66) APPBCHECNR2ACHECNR1
SCHEMBL11673509 0.88 APP (0.85) APPBCHECNR2ACHECNR1
SCHEMBL11730748 0.88 APP (0.85) APPBCHECNR2ACHECNR1
SCHEMBL11673919 0.87 APP (0.84) APPBCHECNR2ACHECNR1
SCHEMBL11672542 0.87 APP (0.87) APPBCHECNR2ACHECNR1
SCHEMBL11673527 0.86 APP (0.68) APPBCHECNR2ACHECNR1
SCHEMBL11672068 0.86 APP (0.76) APPBCHECNR2ACHECNR1
SCHEMBL11672546 0.85 APP (0.87) APPBCHECNR2ACHECNR1
Oxalic Acid SCHEMBL11672214 0.85 APP (0.84) APPBCHECNR2ACHECNR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4024273-A Coronary vasodilator and anti-anginal compositions comprising substituted benzofurans and benzothiophenes and methods of producing coronary vasodilation and anti-anginal activity SMITHKLINE CORPORATION (US) 1977-05-17 — — US disclosed
US-3947470-A CORONARY VASODILATORS, TREATMENT OF ANGINA PECTORIS SMITHKLINE CORPORATION (US) 1976-03-30 — — US disclosed
Send feedback