SCHEMBL12948769

SCHEMBL12948769

C=S(=O)(NC)c1cccc(-c2cc(C=O)ccc2OCC(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.43
ACLY P53396 3/20 0.39
POLB P06746 2/20 0.37
PTPN1 P18031 1/20 0.37
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34

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
SCHEMBL13160674 0.91 PTGDR2 (0.44) PTGDR2ACLYPOLBPTPN1ALDH1A1
SCHEMBL12948887 0.87 PTGDR2 (0.46) PTGDR2ACLYPOLBPTPN1ALDH1A1
SCHEMBL12948774 0.86 PTGDR2 (0.41) PTGDR2ACLYPOLBPTPN1MAPT
SCHEMBL990554 0.78 PTGDR2 (0.53) PTGDR2ACLYPOLBPTPN1ALDH1A1
SCHEMBL12948882 0.76 PTGDR2 (0.43) PTGDR2ACLYPOLBPTPN1MAPT
SCHEMBL989200 0.75 PTGDR2 (0.39) PTGDR2ACLYPOLBALDH1A1SMN1; SMN2
SCHEMBL1949509 0.75 PTGDR2 (0.54) PTGDR2ACLYPSEN1PSEN2APH1B
SCHEMBL7834622 0.72 ALDH1A1 (0.59) POLBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL29991438 0.72 ALDH1A1 (0.59) POLBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL13261434 0.71 PTGDR2 (0.50) PTGDR2ACLYSMN1; SMN2MAPTGAA

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-2011002814-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2011-01-06 WO disclosed