SCHEMBL28085694

SCHEMBL28085694

NCc1ccc(CC(=O)O)c(OCc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFD P00746 10/20 0.68
F11 P03951 4/20 0.68
TPSB2 P20231 4/20 0.68
KLKB1 P03952 2/20 0.68
PLG P00747 1/20 0.68
PLAU P00749 1/20 0.68
F7 P08709 1/20 0.68
PTGER1 P34995 1/20 0.52
PTGER4 P35408 1/20 0.52
PTGER3 P43115 1/20 0.52
PTGER2 P43116 1/20 0.52
CAMK2A Q9UQM7 1/20 0.47
MAOB P27338 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
FFAR1 O14842 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
FOLH1 Q04609 1/20 0.45

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
SCHEMBL28085676 0.87 CFD (0.53) CFDF11TPSB2KLKB1PLG
SCHEMBL16397487 0.84 CFD (0.73) CFDF11TPSB2KLKB1PLG
SCHEMBL3813849 0.82 PTGER1 (0.54) CFDF11TPSB2KLKB1PLG
SCHEMBL16397008 0.81 CFD (1.00) CFDF11TPSB2KLKB1PLG
SCHEMBL2395263 0.81 PTGER1 (0.56) CFDF11TPSB2KLKB1PLG
SCHEMBL1821370 0.81 PTGER1 (0.60) CFDF11TPSB2KLKB1PLG
SCHEMBL16410487 0.81 CFD (0.67) CFDF11TPSB2KLKB1PLG
SCHEMBL27756713 0.80 CFD (0.57) CFDF11TPSB2KLKB1PLG
SCHEMBL31757965 0.80 CFD (0.68) CFDF11TPSB2KLKB1PLG
SCHEMBL1007508 0.80 CFD (0.68) CFDF11TPSB2KLKB1PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105849111-B Pyrans and the different cresol derivatives of baynide fibre and metabolic syndrome or treatment of inflammatory diseases pharmaceutical composition 格拉斯如睦株式会社 2018-05-04 CN disclosed
CN-105849111-A Pyranochromenyl phenol derivative, and pharmaceutical composition for treating metabolic syndrome or inflammatory disease 依如睦生物科技株式会社 2016-08-10 CN disclosed