SCHEMBL8934652

SCHEMBL8934652

O=c1cc(-c2cc(Cl)ccc2O)oc2ccc(Br)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 12/20 0.61
GABRD O14764 12/20 0.61
GABRA1 P14867 12/20 0.61
GABRB1 P18505 12/20 0.61
GABRG2 P18507 12/20 0.61
GABRB3 P28472 12/20 0.61
GABRA5 P31644 12/20 0.61
GABRA3 P34903 12/20 0.61
GABRA2 P47869 12/20 0.61
GABRB2 P47870 12/20 0.61
GABRA4 P48169 12/20 0.61
GABRE P78334 12/20 0.61
GABRA6 Q16445 12/20 0.61
GABRG1 Q8N1C3 12/20 0.61
GABRG3 Q99928 12/20 0.61
GABRQ Q9UN88 12/20 0.61
CSNK2A2 P19784 3/20 0.55
CSNK2B P67870 3/20 0.55
CSNK2A1 P68400 3/20 0.55
TNKS O95271 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
SCHEMBL8934535 0.90 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21704705 0.87 HPGD (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21704790 0.82 HPGD (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8934553 0.81 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21704890 0.80 AKR1C3 (0.71) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4649213 0.79 GABRP (0.74) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6908632 0.77 GABRP (0.71) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22806293 0.74 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21822751 0.73 MEN1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4988784 0.73 MAPT (0.77) 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
WO-1996031206-A2 FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-10-10 WO claimed
WO-1996031206-A2 FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-10-10 WO disclosed