SCHEMBL1827642

SCHEMBL1827642

O=C(N[C@@H](Cc1cccc(OS(=O)(=O)c2ccccc2)c1)C(=O)O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.51
ITGB3 P05106 6/20 0.51
ITGA2B P08514 5/20 0.51
ITGAV P06756 1/20 0.49
CTSL P07711 1/20 0.49
MMP13 P45452 1/20 0.48
CASP1 P29466 1/20 0.48
GPR132 Q9UNW8 1/20 0.48

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
SCHEMBL1826266 0.94 P2RX7 (0.51) P2RX7CTSLMMP13CASP1
SCHEMBL3580679 0.92 P2RX7 (0.52) P2RX7CTSL
SCHEMBL1826528 0.90 P2RX7 (0.53) P2RX7CTSL
SCHEMBL1826137 0.89 P2RX7 (0.50) P2RX7CTSL
SCHEMBL1824760 0.88 P2RX7 (0.57) P2RX7CTSL
SCHEMBL1828101 0.87 P2RX7 (0.60) P2RX7MMP13
SCHEMBL1822339 0.86 P2RX7 (0.59) P2RX7
SCHEMBL1824533 0.85 P2RX7 (0.58) P2RX7MMP13
SCHEMBL1826061 0.84 TACR1 (0.57) P2RX7
SCHEMBL1827307 0.84 P2RX7 (0.53) P2RX7CTSL

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