SCHEMBL28509529

SCHEMBL28509529

COc1ccc(COc2ccccc2CC(=O)O)cc1-c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 10/20 0.55
F11 P03951 6/20 0.55
TPSB2 P20231 5/20 0.55
KLKB1 P03952 2/20 0.55
PLG P00747 1/20 0.55
PLAU P00749 1/20 0.55
F7 P08709 1/20 0.55
PTGER1 P34995 1/20 0.54
PTGER4 P35408 1/20 0.54
PTGER3 P43115 1/20 0.54
PTGER2 P43116 1/20 0.54
PDE4D Q08499 1/20 0.53
FFAR1 O14842 2/20 0.50
PDE4B Q07343 1/20 0.47
TP53 P04637 2/20 0.47
MDM2 Q00987 2/20 0.47
CHRM1 P11229 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
ABCB1 P08183 1/20 0.46

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
SCHEMBL28506911 0.85 FFAR1 (0.57) PDE4DFFAR1PDE4BTP53MDM2
SCHEMBL28506917 0.85 MRGPRX4 (0.56) PTGER1PDE4DFFAR1PDE4BMRGPRX4
SCHEMBL8065449 0.84 PDE4D (0.63) PDE4DPDE4B
SCHEMBL28510358 0.83 FFAR1 (0.53) PTGER1PDE4DFFAR1PDE4BTP53
SCHEMBL17764240 0.82 CFD (0.75) CFDF11TPSB2KLKB1PLG
SCHEMBL16396497 0.82 CFD (0.75) CFDF11TPSB2KLKB1PLG
SCHEMBL28512707 0.80 PDE4D (0.59) PDE4DFFAR1PDE4B
SCHEMBL28509052 0.79 RXRA (0.65) PTGER1PDE4DFFAR1PDE4BTP53
SCHEMBL28509465 0.78 NR4A2 (0.65) PTGER1PDE4DTP53MRGPRX4
SCHEMBL3466382 0.77 PDE4D (0.62) PDE4DFFAR1PDE4BMRGPRX4

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
CN-108997122-B 3-aryl-4-alkoxy benzyl ether derivative and preparation method and application thereof 南方医科大学 2020-12-29 CN claimed
CN-108997122-B 3-aryl-4-alkoxy benzyl ether derivative and preparation method and application thereof 南方医科大学 2020-12-29 CN disclosed