SCHEMBL2491675

SCHEMBL2491675

Cc1ccc(S(=O)(=O)OC(C)c2nc3ccccc3o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 4/20 0.46
PTPN1 P18031 4/20 0.46
PTPN5 P54829 3/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
XDH P47989 1/20 0.46
NLRP3 Q96P20 1/20 0.46
MAPT P10636 1/20 0.40
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GAA P10253 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL11763172 0.82 LMNA (0.44) PTPN2PTPN1MAPTPTGS2KDM4E
SCHEMBL10480337 0.81 PTPN2 (0.48) PTPN2PTPN1PTPN5KEAP1NFE2L2
SCHEMBL8661856 0.73 KEAP1 (0.43) KEAP1NFE2L2PTGS2KDM4EALDH1A1
SCHEMBL491994 0.72 VDR (0.45) KEAP1NFE2L2MAPTKDM4EALDH1A1
SCHEMBL11988007 0.72 VDR (0.45) KEAP1NFE2L2MAPTKDM4EALDH1A1
SCHEMBL27258156 0.72 PTPN2 (0.44) PTPN2PTPN1PTPN5XDHNLRP3
SCHEMBL8995529 0.72 PTGS2 (0.47) PTPN2PTPN1PTPN5KEAP1NFE2L2
SCHEMBL27706612 0.72 MAPT (0.42) MAPTKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL7737602 0.71 HPGD (0.46) PTPN2PTPN1PTPN5KEAP1NFE2L2
SCHEMBL2123396 0.70 MAPT (0.50) MAPTKDM4EALDH1A1NPSR1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed