SCHEMBL760971

SCHEMBL760971

CCCCOc1c2cccc1Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)C2

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSTA1 P08263 6/20 0.65
GSTP1 P09211 6/20 0.65
PTPRC P08575 4/20 0.58
PTPN2 P17706 4/20 0.58
PTPN1 P18031 4/20 0.58
PTPRB P23467 4/20 0.58
PTPN11 Q06124 4/20 0.58
CD69 Q07108 1/20 0.46
LTA4H P09960 3/20 0.40
NR5A1 Q13285 1/20 0.40
LGALS1 P09382 1/20 0.38
TLR4 O00206 2/20 0.38
CD14 P08571 2/20 0.38
LY96 Q9Y6Y9 2/20 0.38
HTR2A P28223 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
SCHEMBL761363 0.93 GSTA1 (0.67) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL12856732 0.91 GSTA1 (0.67) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL30702676 0.91 GSTA1 (0.57) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL6067606 0.91 GSTA1 (0.57) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL31326111 0.81 GSTA1 (0.56) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL12856857 0.81 GSTA1 (0.56) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL19726834 0.81 GSTA1 (0.64) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL12856718 0.81 GSTA1 (0.64) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL23931194 0.80 GSTA1 (0.58) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL12856777 0.80 GSTA1 (0.63) GSTA1GSTP1PTPRCPTPN2PTPN1

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-2307116-B1 METHOD FOR SELECTIVELY EXTRACTING MEMBRANE PROTEINS USING CALIXARENES CENTRE NAT RECH SCIENT (FR) 2012-03-21 EP disclosed
EP-2307116-A1 METHOD FOR SELECTIVELY EXTRACTING MEMBRANE PROTEINS USING CALIXARENES Centre National de la Recherche Scientifique - CNRS (FR) 2011-04-13 EP disclosed
WO-2009144419-A1 METHOD FOR SELECTIVELY EXTRACTING MEMBRANE PROTEINS USING CALIXARENES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2009-12-03 WO disclosed