SCHEMBL1824972

SCHEMBL1824972

Cc1ccc(S(=O)(=O)Oc2ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
KDM4A O75164 1/20 0.63
P2RX7 Q99572 12/20 0.61
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
ACE P12821 1/20 0.51
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
ABCB1 P08183 1/20 0.49
BCL2 P10415 1/20 0.49
PTPN1 P18031 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
SCHEMBL1823184 1.00 KDM4E (0.63) KDM4EKDM4AP2RX7ITGB3ITGA2B
SCHEMBL3580946 0.92 P2RX7 (0.61) KDM4EKDM4AP2RX7ABCB1BCL2
SCHEMBL3580949 0.92 P2RX7 (0.61) KDM4EKDM4AP2RX7ABCB1BCL2
SCHEMBL1827897 0.91 P2RX7 (0.60) KDM4EKDM4AP2RX7ABCB1BCL2
SCHEMBL1827899 0.91 P2RX7 (0.60) KDM4EKDM4AP2RX7ABCB1BCL2
SCHEMBL1823041 0.90 P2RX7 (0.59) KDM4EKDM4AP2RX7ABCB1BCL2
SCHEMBL1823039 0.90 P2RX7 (0.59) KDM4EKDM4AP2RX7ABCB1BCL2
SCHEMBL1825550 0.88 P2RX7 (0.57) KDM4EKDM4AP2RX7ABCB1BCL2
SCHEMBL1825549 0.88 P2RX7 (0.57) KDM4EKDM4AP2RX7ABCB1BCL2
SCHEMBL1827256 0.87 P2RX7 (0.71) KDM4EKDM4AP2RX7BCL2

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