SCHEMBL8934583

SCHEMBL8934583

O=C(O)COc1ccc(O)c2c(=O)cc(-c3ccccc3)oc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
PLK1 P53350 1/20 0.54
BACE1 P56817 1/20 0.54
PKM P14618 2/20 0.53
GABRP O00591 2/20 0.53
GABRD O14764 2/20 0.53
GABRA1 P14867 2/20 0.53
GABRB1 P18505 2/20 0.53
GABRG2 P18507 2/20 0.53
GABRB3 P28472 2/20 0.53
GABRA5 P31644 2/20 0.53
GABRA3 P34903 2/20 0.53
GABRA2 P47869 2/20 0.53
GABRB2 P47870 2/20 0.53
GABRA4 P48169 2/20 0.53
GABRE P78334 2/20 0.53
GABRA6 Q16445 2/20 0.53
GABRG1 Q8N1C3 2/20 0.53
GABRG3 Q99928 2/20 0.53
GABRQ Q9UN88 2/20 0.53

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
SCHEMBL8934550 0.87 KDM4E (0.66) ACHEPLK1BACE1PKMGABRP
SCHEMBL30738943 0.82 ACHE (0.73) ACHEPLK1BACE1PKMGABRP
SCHEMBL4783697 0.80 ALDH1A1 (0.67) ACHEPLK1BACE1PKMGABRP
SCHEMBL8934497 0.80 CYP2D6 (0.52) ACHEPLK1BACE1PKMGABRP
SCHEMBL9141348 0.79 ALDH1A1 (0.65) ACHEPKMABCB1MAPTALDH1A1
SCHEMBL12835534 0.79 ABCB1 (0.55) ACHEPLK1BACE1PKMGABRP
Flavodic Acid SCHEMBL867342 0.77 KDM4E (0.76) ABCB1MAPTALDH1A1CYP3A4CYP1A2
SCHEMBL8934562 0.75 MEN1 (0.67) ACHEPLK1BACE1PKMGABRP
SCHEMBL7608398 0.74 CREB1 (0.68) ABCB1MAPTCYP1A2CYP1A1CYP1B1
SCHEMBL25301059 0.72 ABCB1 (0.65) ACHEPLK1BACE1PKMGABRP

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
WO-1996031206-A2 FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-10-10 WO disclosed