SCHEMBL1823903

SCHEMBL1823903

CC(=O)NC(CC(=O)O)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
NPSR1 Q6W5P4 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
CTSA P10619 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL1824576 0.88 KMT2A (0.46) KMT2AMEN1ALDH1A1POLBHTT
SCHEMBL3582246 0.84 KMT2A (0.43) KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL1823656 0.84 THRB (0.44) KMT2AMEN1SMN1; SMN2RXFP1ALDH1A1
SCHEMBL1827975 0.83 KMT2A (0.40) KMT2AMEN1ALDH1A1HTT
SCHEMBL7824324 0.82 KMT2A (0.63) KMT2AMEN1SMN1; SMN2NPSR1RXFP1
SCHEMBL1824593 0.82 KMT2A (0.44) KMT2AMEN1ALDH1A1HPGD
SCHEMBL1827614 0.79 ALDH1A1 (0.45) KMT2ASMN1; SMN2NPSR1RXFP1ALDH1A1
SCHEMBL15654637 0.77 CYP26A1 (0.58) SMN1; SMN2ALDH1A1CTSAPOLB
SCHEMBL3781378 0.77 KMT2A (0.47) KMT2AMEN1SMN1; SMN2
SCHEMBL2851129 0.77 KMT2A (0.58) KMT2AMEN1SMN1; SMN2ALDH1A1HTT

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