SCHEMBL9960910

SCHEMBL9960910

CCc1c(C)c(C(=O)O)c(C)n1C1=CC(O)c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31
MYC P01106 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
NR4A3 Q92570 1/20 0.30
POLB P06746 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA4 P48058 1/20 0.30
PDE10A Q9Y233 2/20 0.30
LDHA P00338 1/20 0.30
LDHB P07195 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 0.86 PLA2G1B (0.32)
SCHEMBL9960871 0.86 DGAT1 (0.30)
SCHEMBL9960959 0.85 MAPK1 (0.32) TAAR1
SCHEMBL9960907 0.79 MYC (0.31) HTTMYCPOLBGRIA2GRIA4
SCHEMBL9960700 0.76 NOTUM (0.34) KMT2AGAAGFER
SCHEMBL9960992 0.74 MYC (0.35) HTTKMT2AMYCPOLBLDHA
SCHEMBL16144933 0.71 KMT2A (0.37) HTTKMT2APOLB
SCHEMBL9960743 0.71 KMT2A (0.34) HTTKMT2A
SCHEMBL9961059 0.69 ATM (0.34) KMT2AMYCPDE10ALDHALDHB
SCHEMBL9960703 0.67 HTT (0.30) HTT

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