SCHEMBL6653073

SCHEMBL6653073

Cc1ccc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1C.O=C1Cc2ccccc2O1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL39132 0.86 GABBR2 (0.38) ALDH1A1HPGDGAA
SCHEMBL29380744 0.86 GABBR2 (0.38) ALDH1A1HPGDGAA
SCHEMBL21931404 0.80 GABBR2 (0.36) GAAMEN1KMT2A
SCHEMBL5201344 0.79 ALDH1A1 (0.34) ALDH1A1
SCHEMBL1232057 0.78 GABBR2 (0.35) ALDH1A1HPGDGAARAB9A
SCHEMBL9885965 0.78 POLB (0.35) ALDH1A1HPGDGAA
SCHEMBL3844045 0.77 GABBR2 (0.35)
SCHEMBL13891727 0.76 GAA (0.38) ALDH1A1GAA
SCHEMBL466160 0.76 GAA (0.46) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL31247883 0.76 GAA (0.46) ALDH1A1HPGDGAAMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259518-B1 BENZOFURANONE STABILIZATION OF PHOSPHATE ESTERS AKZO NOBEL NV (NL) 2004-06-23 EP claimed