SCHEMBL5708145

SCHEMBL5708145

C=CCN(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
STAT5B P51692 2/20 0.46
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NR1D1 P20393 1/20 0.40
F2 P00734 1/20 0.40
STAT3 P40763 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
AGER Q15109 1/20 0.37
RAB9A P51151 1/20 0.37
ESR1 P03372 1/20 0.36

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
SCHEMBL9181881 0.78 STAT5B (0.45) STAT5BCNR2SMN1; SMN2NR1D1F2
SCHEMBL8879054 0.78 STAT5B (0.45) STAT5BNR1D1F2STAT3KEAP1
SCHEMBL2960697 0.77 AGER (0.45) C5AR1STAT5BNR1D1F2KEAP1
SCHEMBL9178323 0.77 STAT5B (0.44) STAT5BCNR2NR1D1F2STAT3
SCHEMBL13038560 0.77 C5AR1 (0.52) C5AR1CNR2CNR1TDP1SMN1; SMN2
SCHEMBL5708152 0.76 TAS2R14 (0.58) STAT5BCNR2CNR1STAT3TAS2R14
SCHEMBL8946062 0.76 F2 (0.45) STAT5BNR1D1F2STAT3NPSR1
SCHEMBL1864283 0.76 ALDH1A1 (0.51) C5AR1STAT5BNR1D1F2KEAP1
SCHEMBL4928353 0.75 CA12 (0.34) SMN1; SMN2NPSR1MEN1KMT2ARAB9A
SCHEMBL7067656 0.74 STAT5B (0.44) STAT5BCNR2NR1D1F2STAT3

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
EP-1419126-B1 FLUOROUS NUCLEOPHILIC SUBSTITUTION OF ALCOHOLS AND REAGENTS FOR USE THEREIN UNIV PITTSBURGH (US) 2006-11-02 EP disclosed
US-6806357-B1 REACTING THE ALCOHOL AND A NUCLEOPHILE WITH AN AZODICARBOXYLATE AND A PHOSPHINE. AT LEAST ONE OF THE AZODICARBOXYLATE AND THE PHOSPHINE INCLUDES AT LEAST ONE FLUOROUS TAG UNIVERSITY OF PITTSBURGH 2004-10-19 US disclosed
EP-1419126-A1 FLUOROUS NUCLEOPHILIC SUBSTITUTION OF ALCOHOLS AND REAGENTS FOR USE THEREIN UNIVERSITY OF PITTSBURGH (US) 2004-05-19 EP disclosed
WO-2003016246-A1 FLUOROUS NUCLEOPHILIC SUBSTITUTION OF ALCOHOLS AND REAGENTS FOR USE THEREIN UNIVERSITY OF PITTSBURGH (US) 2003-02-27 WO disclosed