SCHEMBL7917111

SCHEMBL7917111

COc1cc(COc2cccc(O)c2)cc(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.62
GABRA1 P14867 1/20 0.61
GABRG2 P18507 1/20 0.61
GABRB3 P28472 1/20 0.61
GABRA3 P34903 1/20 0.61
GABRA2 P47869 1/20 0.61
GABRB2 P47870 1/20 0.61
APP P05067 2/20 0.58
MRGPRX4 Q96LA9 1/20 0.54
ABL1 P00519 1/20 0.51
BCR P11274 1/20 0.51
ABCB1 P08183 1/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL4697138 0.90 MAOB (0.67) MAOBGABRA1GABRG2GABRB3GABRA3
SCHEMBL4700934 0.86 APP (0.68) MAOBGABRA1GABRG2GABRB3GABRA3
SCHEMBL13192722 0.86 MAOB (0.72) MAOBGABRA1GABRG2GABRB3GABRA3
SCHEMBL91264 0.83 MAOB (0.67) MAOBAPPMRGPRX4ABCB1
SCHEMBL5987976 0.83 MAOB (0.76) MAOBAPPMRGPRX4ABCB1NPC1
SCHEMBL29775530 0.82 MAOB (0.57) MAOBAPPMRGPRX4ABCB1NPC1
SCHEMBL78163 0.82 MAOB (0.57) MAOBAPPMRGPRX4ABCB1NPC1
SCHEMBL13332739 0.82 MAOB (0.70) MAOBAPPMRGPRX4ABCB1
SCHEMBL8265677 0.81 MAOB (0.77) MAOBAPPMRGPRX4ABCB1
SCHEMBL7917245 0.81 MAOB (0.77) MAOBAPPMRGPRX4ABCB1

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-6225352-B1 USEFUL AS AGENTS IN THE TREATMENT OF CANCER, ALZHEIMERS DISEASE, THROMBOSIS, INFLAMMATORY DISEASES, AND BACTERIAL RESISTANCE WARNER-LAMBERT COMPANY 2001-05-01 US disclosed