SCHEMBL10461817

SCHEMBL10461817

CC(C)(C)c1cc(Nc2ccc(CC(=O)NN)cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.56
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
AOC2 O75106 2/20 0.43
KMT2A Q03164 2/20 0.43
AOC3 Q16853 2/20 0.42
NLRP3 Q96P20 1/20 0.41
KDM1A O60341 1/20 0.41
VCAM1 P19320 1/20 0.40
MEN1 O00255 1/20 0.39
ANO1 Q5XXA6 2/20 0.38
RET P07949 1/20 0.38
ESRRB O95718 1/20 0.37
ESRRG P62508 1/20 0.37

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
SCHEMBL8971764 0.86 NR1H4 (0.49) GAAALDH1A1TDP1KMT2AMEN1
SCHEMBL8340038 0.82 GAA (0.73) GAAALDH1A1TDP1KMT2AMEN1
SCHEMBL10464020 0.80 MAPT (0.54) GAAALDH1A1TDP1KMT2AMEN1
SCHEMBL8971001 0.80 GSR (0.41) GAAALDH1A1TDP1KMT2AMEN1
SCHEMBL8972254 0.78 NR1H4 (0.51) GAAALDH1A1TDP1KMT2A
SCHEMBL8971750 0.75 GAA (0.51) GAAALDH1A1TDP1KMT2AMEN1
SCHEMBL18459329 0.74 CA2 (0.61) GAAALDH1A1TDP1KMT2AMEN1
SCHEMBL9575165 0.74 GAA (0.70) GAAALDH1A1TDP1KMT2AMEN1
SCHEMBL11796135 0.73 AOC2 (0.66) GAAAOC2KMT2AAOC3MEN1
SCHEMBL10463196 0.72 PTGS1 (0.56) GAAALDH1A1TDP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4906662-A Phenol derivatives, their preparation and the use thereof OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1990-03-06 US disclosed
EP-0263229-A1 Phenol derivatives, their preparation and the use thereof OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-04-13 EP disclosed