SCHEMBL7375373

SCHEMBL7375373

COc1cc(-c2cc(=O)c3c(O)c(Br)c(O)c(Br)c3o2)cc(OC)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.64
GABRD O14764 1/20 0.64
GABRA1 P14867 1/20 0.64
GABRB1 P18505 1/20 0.64
GABRG2 P18507 1/20 0.64
GABRB3 P28472 1/20 0.64
GABRA5 P31644 1/20 0.64
GABRA3 P34903 1/20 0.64
GABRA2 P47869 1/20 0.64
GABRB2 P47870 1/20 0.64
GABRA4 P48169 1/20 0.64
GABRE P78334 1/20 0.64
GABRA6 Q16445 1/20 0.64
GABRG1 Q8N1C3 1/20 0.64
GABRG3 Q99928 1/20 0.64
GABRQ Q9UN88 1/20 0.64
ALDH1A1 P00352 3/20 0.60
CYP3A4 P08684 2/20 0.60
MAPT P10636 3/20 0.56
KDM4E B2RXH2 2/20 0.56

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
SCHEMBL7789493 0.81 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4310257 0.80 ALDH1A1 (0.61) ALDH1A1CYP3A4MAPTKDM4EPOLB
SCHEMBL7367741 0.78 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22686278 0.75 KDM4E (0.82) MAPTKDM4EPOLBRECQLAKR1B1
Gardenin SCHEMBL1764114 0.75 ALDH1A1 (1.00) ALDH1A1CYP3A4MAPTKDM4EPOLB
SCHEMBL1676018 0.73 ABCB1 (0.78) ALDH1A1CYP3A4MAPTKDM4EPOLB
SCHEMBL5135091 0.73 MAOA (0.82) ALDH1A1CYP3A4MAPTKDM4EPOLB
Tricin SCHEMBL44475 0.72 MAOA (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10305800 0.72 AKR1B1 (0.64) ALDH1A1CYP3A4MAPTKDM4EPOLB
SCHEMBL2452297 0.72 KDM4E (0.76) MAPTKDM4EPOLBRECQLAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714296-B1 FLAVONOID AND BIFLAVONOID DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS, THEIR ANXIOLYTIC ACTIVITY UNIV STRATHCLYDE (GB) 2001-11-07 EP claimed
US-6004998-A FLAVONOID 6,8-DIBROMOCHRYSIN UNIVERSITY OF STRATHCLYDE (GB) 1999-12-21 US claimed
US-5756538-A REDUCING THE SEDATIVE AND RELAXANT SIDE EFFECT UNIVERSITY OF STRATHCLYDE (GB) 1998-05-26 US claimed
EP-0714296-A1 FLAVONOID AND BIFLAVONOID DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS, THEIR ANXIOLYTIC ACTIVITY UNIVERSITY OF STRATHCLYDE (GB) 1996-06-05 EP claimed
WO-1995005169-A1 FLAVONOID AND BIFLAVONOID DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS, THEIR ANXIOLYTIC ACTIVITY THE UNIVERSITY OF STRATHCLYDE (GB) 1995-02-23 WO claimed
EP-0714296-B1 FLAVONOID AND BIFLAVONOID DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS, THEIR ANXIOLYTIC ACTIVITY UNIV STRATHCLYDE (GB) 2001-11-07 EP disclosed
US-6004998-A FLAVONOID 6,8-DIBROMOCHRYSIN UNIVERSITY OF STRATHCLYDE (GB) 1999-12-21 US disclosed
US-5756538-A REDUCING THE SEDATIVE AND RELAXANT SIDE EFFECT UNIVERSITY OF STRATHCLYDE (GB) 1998-05-26 US disclosed
EP-0714296-A1 FLAVONOID AND BIFLAVONOID DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS, THEIR ANXIOLYTIC ACTIVITY UNIVERSITY OF STRATHCLYDE (GB) 1996-06-05 EP disclosed
WO-1995005169-A1 FLAVONOID AND BIFLAVONOID DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS, THEIR ANXIOLYTIC ACTIVITY THE UNIVERSITY OF STRATHCLYDE (GB) 1995-02-23 WO disclosed