SCHEMBL6820489

SCHEMBL6820489

CCCOc1c2cccc1Cc1ccc(C(C)(C)C)c(c1)Cc1cccc(c1OCCC)Cc1cccc(c1)C2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
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
GSTA1 P08263 6/20 0.43
GSTP1 P09211 6/20 0.43
TLR4 O00206 7/20 0.41
CD14 P08571 7/20 0.41
LY96 Q9Y6Y9 7/20 0.41
CD69 Q07108 2/20 0.36
ALDH1A1 P00352 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
SCHEMBL6202528 0.85 PTPRC (0.53) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL947567 0.79 CA2 (0.34)
SCHEMBL946177 0.79 CA2 (0.34)
SCHEMBL12856857 0.77 GSTA1 (0.56) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL31326111 0.77 GSTA1 (0.56) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL757636 0.76 GSTA1 (0.50) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL759676 0.74 GSTA1 (0.52) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL6824455 0.73 PTPRC (0.41) PTPRCPTPN2PTPN1PTPRBPTPN11
SCHEMBL29449704 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL5021866 0.70 GSTA1 (0.51) PTPRCPTPN2PTPN1PTPRBPTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004071345-A2 A DEVICE AND METHOD FOR THE DETERMINATION OF LITHIUM ION CONCENTRATION IN A BIOLOGICAL FLUID BAYER HEALTHCARE LLC (US) 2004-08-26 WO disclosed