SCHEMBL6203943

SCHEMBL6203943

CCCOc1c2cccc1Cc1cccc(c1OCCOCCCl)Cc1cccc(c1OCCC)Cc1cccc(c1OCCOCCCl)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTA1 P08263 6/20 0.46
GSTP1 P09211 6/20 0.46
PTPRC P08575 4/20 0.46
PTPN2 P17706 4/20 0.46
PTPN1 P18031 4/20 0.46
PTPRB P23467 4/20 0.46
PTPN11 Q06124 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 4/20 0.39
MAPT P10636 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CD69 Q07108 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TLR4 O00206 2/20 0.35
CD14 P08571 2/20 0.35
LY96 Q9Y6Y9 2/20 0.35
LGALS1 P09382 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL12856857 0.85 GSTA1 (0.56) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL31326111 0.85 GSTA1 (0.56) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL14093080 0.77 CD69 (0.34) L3MBTL1KDM4ECD69ALDH1A1SMN1; SMN2
SCHEMBL12856732 0.77 GSTA1 (0.67) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL30702676 0.76 GSTA1 (0.57) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL6067606 0.76 GSTA1 (0.57) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL6824455 0.76 PTPRC (0.41) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL5021866 0.74 GSTA1 (0.51) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL6202528 0.73 PTPRC (0.53) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL19726834 0.71 GSTA1 (0.64) 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-1468274-A4 POTASSIUM FLUOROIONOPHORE BAYER AG (US) 2005-04-20 EP disclosed
EP-1468274-A1 POTASSIUM FLUOROIONOPHORE Bayer Corporation (US) 2004-10-20 EP disclosed
WO-2003056310-A1 POTASSIUM FLUOROIONOPHORE BAYER CORPORATION (US) 2003-07-10 WO disclosed