SCHEMBL9960700

SCHEMBL9960700

Cc1c(C(=O)O)c(C2CC2)c(C)n1C1=CC(O)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.34
KDM4E B2RXH2 3/20 0.33
ATM Q13315 3/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
THRB P10828 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
SCHEMBL9960849 0.77 PLA2G1B (0.32) THRB
SCHEMBL9960910 0.76 HTT (0.32) GAAGFERKMT2A
SCHEMBL9960992 0.74 MYC (0.35) NOTUMATMMAPTL3MBTL1MEN1
SCHEMBL9960871 0.73 DGAT1 (0.30)
SCHEMBL9960959 0.72 MAPK1 (0.32) KDM4EATMMAPTL3MBTL1
SCHEMBL9960743 0.71 KMT2A (0.34) ATMMAPTMEN1KMT2A
SCHEMBL9960907 0.69 MYC (0.31)
SCHEMBL16145041 0.69 NOTUM (0.35) NOTUMATMMAPTL3MBTL1MEN1
SCHEMBL9961055 0.68 ATM (0.34) NOTUMATMMAPTL3MBTL1MEN1
SCHEMBL9961059 0.67 ATM (0.34) NOTUMATMKMT2A

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