SCHEMBL7914527

SCHEMBL7914527

CC(C)(C)c1cccc(-c2cc(C(C)(C)C)cc(O)c2O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
KIF11 P52732 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
PTPN5 P54829 3/20 0.43
ACHE P22303 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL28274058 0.82 ALDH1A1 (0.53) HDAC4HDAC2HDAC8KIF11ALDH1A1
SCHEMBL28856615 0.80 KIF11 (0.44) HDAC4HDAC2HDAC8KIF11ALDH1A1
SCHEMBL16256478 0.79 ALDH1A1 (0.50) HDAC4HDAC2HDAC8ALDH1A1HPGD
SCHEMBL27587036 0.79 PTPN5 (0.59) HDAC4HDAC2HDAC8KIF11ALDH1A1
SCHEMBL30985262 0.77 KIF11 (0.50) HDAC4HDAC2HDAC8KIF11ALDH1A1
SCHEMBL28378098 0.76 HDAC4 (0.51) HDAC4HDAC2HDAC8KIF11ALDH1A1
SCHEMBL7649454 0.76 PTPN5 (0.68) HDAC4HDAC2HDAC8KIF11ALDH1A1
SCHEMBL200188 0.76 BACE1 (0.49) HDAC4HDAC2HDAC8ALDH1A1HPGD
SCHEMBL30023786 0.74 KIF11 (0.72) HDAC4HDAC2HDAC8KIF11ALDH1A1
SCHEMBL5547288 0.74 KIF11 (0.72) HDAC4HDAC2HDAC8KIF11ALDH1A1

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
US-6225385-B1 MADE BY CONDENSING PHOSPHORUS TRICHLORIDE WITH 2,2'-DIMETHYL-4,4'-DIHYDROXY-5,5'-DITERTBUTYLDIPHENYL; ADDED TO PLASTICS, PAINTS, COATINGS, AND OILS TO PROTECT AGAINST DAMAGE CAUSED BY OXYGEN, LIGHT, AND HEAT CLARIANT GMBH (DE) 2001-05-01 US disclosed