SCHEMBL8433770

SCHEMBL8433770

CCOC(=O)COc1ccc(Cc2cc[nH]n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.46
TBXAS1 P24557 1/20 0.45
ESR1 P03372 1/20 0.43
POLB P06746 1/20 0.43
LTA4H P09960 1/20 0.43
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
ALOX15 P16050 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
P2RY12 Q9H244 1/20 0.43

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
SCHEMBL10852582 0.80 GAA (0.51) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL11815554 0.79 GAA (0.72) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL5202817 0.78 GAA (0.66) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL11460802 0.77 NPSR1 (0.57) GAANPSR1MAPTTSHRPOLB
SCHEMBL8321862 0.76 GAA (0.64) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL7918868 0.75 GAA (0.62) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL7228178 0.75 GAA (0.62) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL1668484 0.75 GAA (0.62) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL15528277 0.75 CA12 (0.47) GAAKDM4EHSD17B10ALDH1A1MAPT
SCHEMBL11550281 0.74 GAA (0.70) GAANPSR1KDM4EHSD17B10HPGD

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
US-5972949-A COMPOUNDS SUCH AS 4-(1-PYRAZOLYL)METHYLPHENYL 2-(2-PYRIMIDYLOXY) ETHYL ETHER; INSECTICIDAL AND/OR ACARICIDAL AGENTS SUMITO CHEMICAL CO., LTD. (JP) 1999-10-26 US disclosed