SCHEMBL1823746

SCHEMBL1823746

CC(C)(C)OC(=O)NC[CH]c1ccccc1OS(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 5/20 0.42
MAPK1 P28482 1/20 0.42
DHODH Q02127 1/20 0.41
MAPT P10636 6/20 0.41
GAA P10253 1/20 0.41
CA1 P00915 4/20 0.40
CA12 O43570 2/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HTT P42858 3/20 0.39
EGFR P00533 1/20 0.39
HSD11B1 P28845 1/20 0.39
HSD17B3 P37058 1/20 0.39
KDM4E B2RXH2 2/20 0.38
CA2 P00918 3/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL1827850 0.76 SYK (0.42) ALDH1A1DHODHMAPTCA1CA12
SCHEMBL1823905 0.74 SYK (0.40) ALDH1A1LMNADHODHMAPTCA1
SCHEMBL1827248 0.74 CA1 (0.38) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL7453149 0.74 NFKB1 (0.46) MEN1KMT2AMAPTGAACA1
SCHEMBL9530194 0.73 NQO2 (0.47) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL7887202 0.73 CA1 (0.45) CA1CA12CA7CA14CA2
SCHEMBL3575086 0.73 SYK (0.39) ALDH1A1LMNADHODHMAPTCA1
SCHEMBL14552626 0.72 CA1 (0.47) CA1CA12CA7CA14CA2
SCHEMBL1822504 0.71 SYK (0.47) MAPTCA1CA12CA7CA14
SCHEMBL16990184 0.71 CA1 (0.54) CA1CA12CA7CA14CA2

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-2161254-B1 Intermediate for preparing a biaryl compound SUMITOMO CHEMICAL CO (JP) 2014-08-13 EP disclosed
EP-1481967-B1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-05-04 EP disclosed
EP-2161254-A1 Intermediate for preparing a biaryl compound Sumitomo Chemical Company, Limited (JP) 2010-03-10 EP disclosed