SCHEMBL9960925

SCHEMBL9960925

Cc1c(C2=CC(O)c3ccccc32)ccc2[nH]nc(C(=O)O)c12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 4/20 0.33
PRKAA1 Q13131 4/20 0.33
PRKAB1 Q9Y478 4/20 0.33
PRKAB2 O43741 3/20 0.33
PRKAA2 P54646 3/20 0.33
PRKAG3 Q9UGI9 3/20 0.33
PRKAG2 Q9UGJ0 3/20 0.33
HAO1 Q9UJM8 2/20 0.33
KDM4E B2RXH2 2/20 0.31
HCAR2 Q8TDS4 4/20 0.31
PAK1 Q13153 1/20 0.31
YTHDC1 Q96MU7 1/20 0.30
STAT3 P40763 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL9960847 0.76 ALDH1A1 (0.44) KDM4E
SCHEMBL9960649 0.73 MYC (0.33)
SCHEMBL9960813 0.72 MYC (0.44) KDM4EHIF1A
SCHEMBL9960870 0.69 CCNC (0.33)
SCHEMBL9960671 0.69 ACHE (0.33) KDM4E
SCHEMBL9960918 0.68 NR4A2 (0.35) KDM4E
SCHEMBL9960479 0.68 RBP4 (0.40) KDM4E
SCHEMBL16144893 0.68 MAPK13 (0.39) KDM4E
SCHEMBL2457029 0.67 ALDH1A1 (0.43) KDM4E
SCHEMBL27926815 0.67 ATM (0.36) KDM4E

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-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP claimed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO claimed
EP-2858629-A1 A TOPICAL GEL COMPOSITION COMPRISING AN INGENOL DERIVATIVE AND A SOLVENT MIXTURE Leo Laboratories Limited (IE) 2015-04-15 EP disclosed
WO-2013182688-A1 A TOPICAL GEL COMPOSITION COMPRISING AN INGENOL DERIVATIVE AND A SOLVENT MIXTURE LEO LABORATORIES LIMITED (IE) 2013-12-12 WO disclosed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO disclosed