SCHEMBL9683152

SCHEMBL9683152

O=C(/C=C/c1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 7/20 0.67
APP P05067 5/20 0.65
CCR5 P51681 1/20 0.58
KDM4E B2RXH2 5/20 0.57
MAPT P10636 5/20 0.57
HSD17B10 Q99714 4/20 0.57
TDP1 Q9NUW8 4/20 0.57
POLB P06746 3/20 0.57
GAA P10253 3/20 0.57
HPGD P15428 3/20 0.57
TTR P02766 2/20 0.57
MMP1 P03956 2/20 0.57
THRB P10828 2/20 0.57
AKR1B1 P15121 2/20 0.57
APEX1 P27695 2/20 0.57
MEN1 O00255 1/20 0.57
HDAC3 O15379 1/20 0.57
CA12 O43570 1/20 0.57
AKR1B10 O60218 1/20 0.57
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL8848008 1.00 IAPP (0.67) IAPPAPPCCR5KDM4EMAPT
SCHEMBL8741652 0.89 APP (0.57) IAPPAPPCCR5KDM4EMAPT
SCHEMBL8741647 0.89 APP (0.57) IAPPAPPCCR5KDM4EMAPT
SCHEMBL30449722 0.88 ALOX5 (0.67) IAPPAPPCCR5KDM4EMAPT
SCHEMBL4545217 0.88 ALOX5 (0.67) IAPPAPPCCR5KDM4EMAPT
Caffeic Acid SCHEMBL27469970 0.85 KDM4E (0.69) IAPPAPPKDM4EMAPTHSD17B10
Didemethylcurcumin SCHEMBL613667 0.83 IAPP (0.77) IAPPAPPKDM4EMAPTHSD17B10
Didemethylcurcumin SCHEMBL613666 0.83 IAPP (0.77) IAPPAPPKDM4EMAPTHSD17B10
SCHEMBL29565624 0.82 APP (0.55) IAPPAPPKDM4EMAPTHSD17B10
SCHEMBL13310702 0.82 CA12 (0.53) IAPPAPPCCR5KDM4EMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0466198-A1 A lipoxygenase inhibitor GREEN CROSS CORPORATION (JP) 1992-01-15 EP disclosed
EP-0466197-A1 A lipoxygenase inhibitor GREEN CROSS CORPORATION (JP) 1992-01-15 EP disclosed
EP-0464859-A1 A lipoxygenase inhibitor GREEN CROSS CORPORATION (JP) 1992-01-08 EP disclosed
EP-0464858-A1 A lipoxygenase inhibitor GREEN CROSS CORPORATION (JP) 1992-01-08 EP disclosed
US-4733002-A Lipoxygenase inhibitor GREEN CROSS CORPORATION (JP) 1988-03-22 US disclosed