SCHEMBL13618776

SCHEMBL13618776

CC(C)(C)c1cc(NO)cc(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.52
GABRB2 P47870 1/20 0.52
HDAC3 O15379 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
ACLY P53396 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
RXRA P19793 4/20 0.38
POLB P06746 1/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC1 Q13547 1/20 0.37
RXRB P28702 3/20 0.36
RXRG P48443 2/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL1336759 0.78 GABRA1 (0.50) GABRA1GABRB2HDAC3HDAC6ACLY
SCHEMBL93161 0.76 GABRA1 (0.69) GABRA1GABRB2MAPTKDM4EGAA
SCHEMBL8116484 0.76 GABRA1 (0.48) GABRA1GABRB2HDAC3HDAC6ACLY
SCHEMBL9516534 0.74 GABRA1 (0.46) GABRA1GABRB2HDAC3HDAC6ACLY
SCHEMBL28479006 0.74 GABRA1 (0.46) GABRA1GABRB2HDAC3HDAC6ACLY
SCHEMBL16628066 0.74 MAPT (0.50) HDAC3HDAC6MAPTHDAC8HDAC1
SCHEMBL17931815 0.74 GABRA1 (0.46) GABRA1GABRB2HDAC3HDAC6ACLY
SCHEMBL13617224 0.74 LMNA (0.52) HDAC3HDAC6MAPTHDAC8HDAC1
SCHEMBL16259491 0.73 MAPT (0.55) GABRA1GABRB2HDAC3HDAC6MAPT
SCHEMBL2346923 0.73 GPR35 (0.47) GABRA1GABRB2HDAC3HDAC6ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2113548-B1 ORGANIC ELECTROLUMINESCENCE DEVICE UDC IRELAND LTD (IE) 2016-05-25 EP disclosed
CN-103080269-B Photochromic composition TOKUYAMA CORP. (JP) 2015-12-16 CN disclosed
CN-103080269-A Photochromic composition TOKUYAMA CORP 2013-05-01 CN disclosed
EP-2113548-A1 Organic electroluminescence device FUJIFILM Corporation (JP) 2009-11-04 EP disclosed