SCHEMBL8477643

SCHEMBL8477643

O=c1cc(-c2ccccc2F)oc2cc(O)cc(O)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 1.00
GABRD O14764 4/20 1.00
GABRA1 P14867 4/20 1.00
GABRB1 P18505 4/20 1.00
GABRG2 P18507 4/20 1.00
GABRB3 P28472 4/20 1.00
GABRA5 P31644 4/20 1.00
GABRA3 P34903 4/20 1.00
GABRA2 P47869 4/20 1.00
GABRB2 P47870 4/20 1.00
GABRA4 P48169 4/20 1.00
GABRE P78334 4/20 1.00
GABRA6 Q16445 4/20 1.00
GABRG1 Q8N1C3 4/20 1.00
GABRG3 Q99928 4/20 1.00
GABRQ Q9UN88 4/20 1.00
QPCT Q16769 4/20 1.00
MEN1 O00255 6/20 0.77
KMT2A Q03164 6/20 0.77
CYP3A4 P08684 5/20 0.77

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
SCHEMBL3708991 0.87 MEN1 (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13259767 0.83 MEN1 (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9148162 0.82 MEN1 (0.79) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3703230 0.81 MEN1 (0.69) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29424233 0.81 BACE1 (0.77) GABRPGABRDGABRA1GABRB1GABRG2
Norartocarpetin SCHEMBL29435851 0.81 BACE1 (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14464104 0.81 BACE1 (0.77) GABRPGABRDGABRA1GABRB1GABRG2
Norartocarpetin SCHEMBL1546435 0.81 BACE1 (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22738310 0.80 MEN1 (0.75) GABRPGABRDGABRA1GABRB1GABRG2
Chrysin SCHEMBL44474 0.80 MAPT (1.00) GABRPGABRDGABRA1GABRB1GABRG2

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-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