SCHEMBL8913368

SCHEMBL8913368

Cc1ccccc1S(=O)(=O)OCCc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 2/20 0.41
PTGES2 Q9H7Z7 2/20 0.40
CNR2 P34972 1/20 0.38
F2 P00734 1/20 0.37
ALDH1A1 P00352 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
TP53 P04637 1/20 0.37
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
PTGER1 P34995 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ESR1 P03372 1/20 0.36
GAA P10253 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
SCHEMBL6912266 0.88 CA1 (0.54) CA1CA2CA9ALDH1A1L3MBTL1
SCHEMBL18045535 0.82 MMP1 (0.47) ALDH1A1L3MBTL1HTT
SCHEMBL8654494 0.81 KMT2A (0.45) ALDH1A1RXFP1L3MBTL1TP53MEN1
SCHEMBL2762565 0.78 KMT2A (0.41) ALDH1A1RXFP1L3MBTL1TP53MEN1
SCHEMBL7619544 0.77 KMT2A (0.43) ALDH1A1RXFP1L3MBTL1TP53MEN1
SCHEMBL6411427 0.76 KMT2A (0.42) CA1CA2ALDH1A1RXFP1L3MBTL1
SCHEMBL948326 0.76 CNR2 (0.56) CA1CA2CNR2ALDH1A1MEN1
SCHEMBL8746193 0.74 GAA (0.48) ALDH1A1RXFP1L3MBTL1MEN1KMT2A
SCHEMBL71839 0.74 KMT2A (0.41) ALDH1A1RXFP1L3MBTL1MEN1KMT2A
SCHEMBL3620171 0.74 KMT2A (0.41) CA2ALDH1A1RXFP1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1935152-A Synthesis of 2-aralkoxyadenosines and 2-alkoxyadenosines KING PHARMACEUTICALS RES & DEV (US) 2007-03-28 CN claimed
CN-1608076-A Synthesis of 2-aralkyloxyadenosine and 2-alkoxyadenosine KING PHARMACEUTICALS RES & DEV (US) 2005-04-20 CN claimed
US-RE35462-E Silylated benzoic acid derivatives CONSORTIUM FUR ELEKOCHEMISCHE IND. GMBH (DE) 1997-02-25 US disclosed
US-5277838-A Silylated benzoic acid derivatives CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1994-01-11 US disclosed
US-5210247-A ORGANOSILYLALKYLAROMATIC COMPOUNDS CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1993-05-11 US disclosed
US-5106530-A Liquid crystals Consortium Fur Elektrochemische Ind. (DE) 1992-04-21 US disclosed