SCHEMBL10153199

SCHEMBL10153199

COc1cccc2c(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4c(OC)cccc34)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.43
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PTPRC P08575 1/20 0.35
PTPN1 P18031 1/20 0.35
RXRA P19793 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
CHEK1 O14757 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL14600442 0.99 PDK2 (0.43) PDK2MEN1ALDH1A1MAPTRAB9A
SCHEMBL10153153 0.92 PDK2 (0.42) PDK2ALDH1A1MAPTL3MBTL1HSP90AA1
SCHEMBL10153896 0.90 PDK2 (0.37) PDK2MEN1ALDH1A1MAPTRAB9A
SCHEMBL10153200 0.88 PDK2 (0.37) PDK2MEN1ALDH1A1MAPTRAB9A
SCHEMBL10153505 0.84 PDK2 (0.41) PDK2MEN1ALDH1A1MAPTKMT2A
SCHEMBL10153306 0.84 PDK2 (0.41) PDK2MEN1ALDH1A1MAPTKMT2A
SCHEMBL10153567 0.82 PDK2 (0.41) PDK2ALDH1A1SMN1; SMN2L3MBTL1PTPRC
SCHEMBL14600375 0.82 PDK2 (0.41) PDK2ALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL10153156 0.82 PDK2 (0.42) PDK2MEN1ALDH1A1MAPTKMT2A
SCHEMBL10153942 0.82 PDK2 (0.42) PDK2MEN1ALDH1A1MAPTKMT2A

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
EP-1221434-B1 HYDROCARBON COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUI CHEMICALS INC (JP) 2012-06-27 EP disclosed
US-7166240-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2007-01-23 US disclosed
US-7166240-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2007-01-23 US disclosed