SCHEMBL9708863

SCHEMBL9708863

CC(C)(C)c1cc(NCc2ccccc2)cc(C(C)(C)C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.47
GSR P00390 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
ALOX12 P18054 1/20 0.44
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
NR1H4 Q96RI1 2/20 0.43
TRPA1 O75762 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
Hydrochloric Acid SCHEMBL10460314 0.88 HTT (0.47) GAAMEN1KMT2AHTTGSR
SCHEMBL29015812 0.87 GSR (0.53) GAAMEN1KMT2AHTTGSR
SCHEMBL16104894 0.86 GSR (0.59) GAAMEN1KMT2AHTTGSR
SCHEMBL13057540 0.85 ALDH1A1 (0.56) GAAMEN1KMT2AHTTGSR
SCHEMBL784975 0.81 GAA (0.50) GAAMEN1KMT2AHTTGSR
SCHEMBL14493851 0.81 GAA (0.50) GAAMEN1KMT2AHTTGSR
SCHEMBL784941 0.81 GAA (0.50) GAAMEN1KMT2AHTTGSR
SCHEMBL784945 0.81 GAA (0.50) GAAMEN1KMT2AHTTGSR
SCHEMBL9709140 0.81 GSR (0.63) GAAMEN1KMT2AGSRALDH1A1
SCHEMBL16471746 0.80 GAA (0.46) GAAMEN1KMT2AHTTGSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3052849-A None JP disclosed
EP-0515684-A1 INHIBITOR OF DENATURED LDL FORMATION Chugai Seiyaku Kabushiki Kaisha (JP) 1992-12-02 EP disclosed
JP-H0352849-A DIPHENYLMETHYLAMINE DERIVATIVE TEIKOKU HORMONE MFG CO LTD 1991-03-07 JP disclosed