SCHEMBL1825929

SCHEMBL1825929

C[C](CNC(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.50
ENPP1 P22413 5/20 0.45
ENPP3 O14638 4/20 0.45
ENPP2 Q13822 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA12 O43570 6/20 0.42
CA1 P00915 6/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 1/20 0.41
ACACB O00763 1/20 0.41
ADAMTS4 O75173 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 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
SCHEMBL1823722 0.79 EGFR (0.48) EGFRENPP1ENPP3MEN1KMT2A
SCHEMBL3571453 0.79 EGFR (0.46) EGFRENPP1ENPP3MEN1KMT2A
SCHEMBL1822824 0.78 EGFR (0.45) EGFRENPP1ENPP3ENPP2ALDH1A1
SCHEMBL1825979 0.77 EGFR (0.46) EGFRENPP1ENPP3MEN1KMT2A
SCHEMBL1827842 0.76 EGFR (0.43) EGFRALDH1A1SMN1; SMN2CA12CA1
SCHEMBL1825630 0.76 EGFR (0.43) EGFRALDH1A1SMN1; SMN2CA12CA1
SCHEMBL1824701 0.76 EGFR (0.43) EGFRALDH1A1SMN1; SMN2CA12CA1
SCHEMBL1825617 0.75 ABCB1 (0.44) EGFRALDH1A1SMN1; SMN2CA12CA1
SCHEMBL1822865 0.75 P2RX7 (0.47) EGFRCA2CA9
SCHEMBL2295360 0.74 ENPP1 (0.49) EGFRENPP1ENPP3ENPP2MEN1

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