SCHEMBL6550407

SCHEMBL6550407

COc1ccc(C(O)c2ccccc2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.47
CNR2 P34972 1/20 0.47
BCHE P06276 1/20 0.46
TYR P14679 1/20 0.46
ACHE P22303 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ADRA2A P08913 2/20 0.45
ADRA1A P35348 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL10686479 0.90 LMNA (0.54) MEN1KMT2ABCHETYRACHE
SCHEMBL8806213 0.87 ADRA2A (0.57) MEN1KMT2ACNR2CA12CA1
SCHEMBL30943709 0.87 ADRA2A (0.57) MEN1KMT2ACNR2CA12CA1
SCHEMBL2096168 0.86 CA12 (0.56) MEN1KMT2ABCHETYRACHE
SCHEMBL131894 0.85 BCHE (0.51) MEN1KMT2ABCHETYRACHE
SCHEMBL31722861 0.85 LMNA (0.51) MEN1KMT2ABCHETYRACHE
SCHEMBL2516365 0.85 MAPT (0.52) GAABCHETYRACHELMNA
SCHEMBL131893 0.84 LMNA (0.49) MEN1KMT2ABCHETYRACHE
SCHEMBL7145569 0.84 LMNA (0.46) MEN1KMT2ABCHETYRACHE
SCHEMBL11857411 0.83 ACP3 (0.42) MEN1KMT2AGAACNR2BCHE

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-1385619-A2 SYSTEM FOR THE SYNTHESIS OF SPATIALLY SEPARATED LIBRARIES OF COMPOUNDS AND METHODS FOR THE USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2004-02-04 EP disclosed
US-20030092064-A1 Generation of preferential library; provide reaction aggregates, incubate each aggregate with chemical compound, monitor response at reaction aggregate MILLENNIUM PHARMACEUTICALS, INC. 2003-05-15 US disclosed
WO-2002081077-A2 SYSTEM FOR THE SYNTHESIS OF SPATIALLY SEPARATED LIBRARIES OF COMPOUNDS AND METHODS FOR THE USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-17 WO disclosed