SCHEMBL9960907

SCHEMBL9960907

CCc1c(C)c(C(=O)O)n(C2=CC(O)c3ccccc32)c1C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.31
GRIA2 P42262 1/20 0.30
GRIA4 P48058 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 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
SCHEMBL9960910 0.79 HTT (0.32) MYCGRIA2GRIA4POLBHTT
SCHEMBL9961034 0.71 NOTUM (0.34) MYCGRIA2GRIA4HTT
SCHEMBL9960743 0.71 KMT2A (0.34) HTT
SCHEMBL9960871 0.70 DGAT1 (0.30)
SCHEMBL9960849 0.70 PLA2G1B (0.32)
SCHEMBL9960959 0.70 MAPK1 (0.32)
SCHEMBL9960700 0.69 NOTUM (0.34)
SCHEMBL16144911 0.69 TSHR (0.34) GRIA2GRIA4
SCHEMBL9960992 0.69 MYC (0.35) MYCPOLBHTT
SCHEMBL9961025 0.67 GRIA2 (0.37) MYCGRIA2GRIA4

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 4 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-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