SCHEMBL9048586

SCHEMBL9048586

CCOc1cccc(Oc2ccccc2/C(=C\OC)C(=O)OC)c1.CO/C(C)=C(/C(=O)O)c1ccccc1Oc1cc(C(C)(C)C)ccn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.35
SRC P12931 7/20 0.34
SYK P43405 7/20 0.34
MAPK14 Q16539 7/20 0.34
GSK3A P49840 5/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
MTNR1B P49286 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CXCL8 P10145 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL8844349 0.86 KDM4E (0.37) LMNAMAPTMTNR1BL3MBTL1KDM4E
SCHEMBL203539 0.82 MEN1 (0.37) SRCMAPK14GSK3AMAPTRXFP1
SCHEMBL29393804 0.82 MEN1 (0.37) SRCMAPK14GSK3AMAPTRXFP1
SCHEMBL203541 0.81 SRC (0.38) SRCSYKMAPK14GSK3AMAPT
SCHEMBL203536 0.80 MAPT (0.47) LMNAMAPTMTNR1BNPSR1L3MBTL1
SCHEMBL29358900 0.80 MAPT (0.47) LMNAMAPTMTNR1BNPSR1L3MBTL1
SCHEMBL28691194 0.80 MAPT (0.47) LMNAMAPTMTNR1BNPSR1L3MBTL1
SCHEMBL203538 0.79 LMNA (0.51) LMNAMAPTMTNR1BNPSR1L3MBTL1
SCHEMBL2108015 0.78 SRC (0.36) SRCLMNAMAPTRXFP1NPSR1
SCHEMBL2108009 0.78 SRC (0.36) SRCLMNAMAPTRXFP1NPSR1

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-0713485-A1 THIOCARBAMOYL COMPOUNDS BAYER AG (DE) 1996-05-29 EP disclosed
WO-1995026962-A1 THIAZOLYLPYRAZOLINONES AND THEIR USE FOR PROTECTING TECHNICAL MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 1995-10-12 WO disclosed
WO-1995004722-A1 THIOCARBAMOYL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1995-02-16 WO disclosed