SCHEMBL9680559

SCHEMBL9680559

COc1ccc(CCC(=O)CP(=O)(O)O)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
OR51E2 Q9H255 1/20 0.55
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 2/20 0.48
LTA4H P09960 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2B6 P20813 1/20 0.48
CYP2C19 P33261 1/20 0.48
LDHA P00338 1/20 0.48

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 0.87 ALOX5 (0.54) ALOX5OR51E2KMT2AMEN1CA12
SCHEMBL3579994 0.86 ALOX5 (0.66) ALOX5OR51E2KMT2AMEN1CA12
SCHEMBL10307841 0.83 ALOX5 (0.77) ALOX5OR51E2KMT2AMEN1CA12
SCHEMBL8071144 0.81 ALOX5 (0.60) ALOX5OR51E2KMT2AMEN1CA12
SCHEMBL8500981 0.81 ALOX5 (0.60) ALOX5OR51E2KMT2AMEN1CA12
SCHEMBL10690838 0.80 F2RL1 (0.68) ALOX5ALDH1A1
SCHEMBL9680592 0.79 PLAAT3 (0.50) ALOX5OR51E2KMT2ACA12CA1
SCHEMBL15970740 0.79 KMT2A (0.63) KMT2AMEN1CA12CA1CA2
SCHEMBL10879308 0.79 ALOX5 (0.66) ALOX5OR51E2KMT2AMEN1CA12
SCHEMBL347209 0.78 FFAR4 (0.61) ALOX5OR51E2KMT2AMEN1CA12

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