SCHEMBL18542708

SCHEMBL18542708

CC(C)(C)OC(=O)c1ccc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.45
▸ GABRG2 P18507 1/20 0.45
▸ GABRB3 P28472 1/20 0.45
▸ GABRA5 P31644 1/20 0.45
▸ GABRA3 P34903 1/20 0.45
▸ GABRA2 P47869 1/20 0.45
▸ GABRA4 P48169 1/20 0.45
▸ GABRA6 Q16445 1/20 0.45
▸ TDP1 Q9NUW8 3/20 0.41
▸ APEX1 P27695 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36

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
SCHEMBL9699948 0.86 TDP1 (0.42) TDP1APEX1ALDH1A1HPGDALOX15
SCHEMBL16138865 0.84 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13945805 0.84 CFTR (0.49) TDP1ALDH1A1HPGDHSD17B10LMNA
SCHEMBL27761528 0.83 ALDH1A1 (0.48) ALDH1A1ALOX15HSD17B10HSP90AB1LMNA
SCHEMBL27960937 0.80 TDP1 (0.42) TDP1APEX1ALDH1A1HPGDALOX15
SCHEMBL31350139 0.80 TDP1 (0.50) TDP1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL4631399 0.80 TDP1 (0.59) TDP1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL28347865 0.79 TDP1 (0.38) TDP1APEX1ALDH1A1HPGDALOX15
SCHEMBL27888034 0.78 TDP1 (0.57) TDP1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL27923138 0.78 TDP1 (0.57) TDP1ALDH1A1HPGDALOX15HSD17B10

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-20170051102-A1 METHOD OF FORMING POLYARYL POLYMERS AND POLYMERS FORMED THEREBY DOW GLOBAL TECHNOLOGIES LLC 2017-02-23 — — US disclosed
Send feedback