SCHEMBL9680592

SCHEMBL9680592

COc1ccc(CCCC(=O)CP(=O)(OC)OC)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.50
PLAAT5 Q96KN8 1/20 0.50
PLAAT2 Q9NWW9 1/20 0.50
PLAAT4 Q9UL19 1/20 0.50
ALOX5 P09917 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
KMT2A Q03164 1/20 0.45
LTA4H P09960 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ATM Q13315 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP2C19 P33261 1/20 0.45
OR51E2 Q9H255 1/20 0.45

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
SCHEMBL9681176 0.92 ALOX5 (0.54) ALOX5CA12CA1CA2CA9
SCHEMBL2224074 0.79 ATM (0.61) PLAAT3PLAAT5PLAAT2PLAAT4CA12
SCHEMBL9680559 0.79 ALOX5 (0.55) ALOX5CA12CA1CA2CA9
SCHEMBL11824916 0.79 HDAC3 (0.44) PLAAT3PLAAT5PLAAT2PLAAT4ALOX5
SCHEMBL10776386 0.79 PLAAT3 (0.60) PLAAT3PLAAT5PLAAT2PLAAT4ALOX5
SCHEMBL5182644 0.78 PLAAT3 (0.58) PLAAT3PLAAT5PLAAT2PLAAT4CA12
Water SCHEMBL11279881 0.78 ATM (0.59) PLAAT3PLAAT5PLAAT2PLAAT4CA12
SCHEMBL503571 0.78 PLAAT3 (0.61) PLAAT3PLAAT5PLAAT2PLAAT4CA12
SCHEMBL14256688 0.77 PLAAT3 (0.56) PLAAT3PLAAT5PLAAT2PLAAT4CA12
SCHEMBL3579994 0.76 ALOX5 (0.66) ALOX5CA12CA1CA2CA9

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 6 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
EP-0163270-A2 A lipoxygenase inhibitor GREEN CROSS CORPORATION (JP) 1985-12-04 EP disclosed