SCHEMBL8934535

SCHEMBL8934535

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 7/20 0.62
GABRD O14764 7/20 0.62
GABRA1 P14867 7/20 0.62
GABRB1 P18505 7/20 0.62
GABRG2 P18507 7/20 0.62
GABRB3 P28472 7/20 0.62
GABRA5 P31644 7/20 0.62
GABRA3 P34903 7/20 0.62
GABRA2 P47869 7/20 0.62
GABRB2 P47870 7/20 0.62
GABRA4 P48169 7/20 0.62
GABRE P78334 7/20 0.62
GABRA6 Q16445 7/20 0.62
GABRG1 Q8N1C3 7/20 0.62
GABRG3 Q99928 7/20 0.62
GABRQ Q9UN88 7/20 0.62
CSNK2A2 P19784 1/20 0.61
CSNK2B P67870 1/20 0.61
CSNK2A1 P68400 1/20 0.61
TNKS O95271 1/20 0.60

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
SCHEMBL8934652 0.90 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21704790 0.88 HPGD (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8934553 0.87 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21704705 0.79 HPGD (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6907832 0.79 GABRP (0.74) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12941631 0.79 NPC1 (0.77) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4650588 0.78 GABRP (0.82) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13522982 0.78 EPHX2 (0.50) ALDH1A1KDM4ETSHRHSD17B10NPC1
SCHEMBL8934573 0.76 POLH (0.62) CSNK2A2CSNK2BCSNK2A1ALDH1A1KDM4E
SCHEMBL24046756 0.75 GABRP (0.64) 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