SCHEMBL6945650

SCHEMBL6945650

COc1cc(O)c2c(=O)oc(C(=O)O)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
SLC22A2 O15244 1/20 0.48
SLC22A1 O15245 1/20 0.48
EED O75530 1/20 0.48
ALOX5 P09917 1/20 0.48
THRB P10828 1/20 0.48
G6PD P11413 1/20 0.48
CBR1 P16152 1/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAOA P21397 4/20 0.46
ANTXR2 P58335 1/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
ABCB1 P08183 1/20 0.43

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
SCHEMBL5079030 0.80 ANTXR2 (0.71) MEN1SLC22A2SLC22A1EEDALOX5
SCHEMBL6352501 0.79 RECQL (0.45) MEN1SLC22A2SLC22A1EEDALOX5
SCHEMBL29349908 0.79 MEN1 (0.45) MEN1SLC22A2SLC22A1EEDALOX5
SCHEMBL3191297 0.79 MEN1 (0.45) MEN1SLC22A2SLC22A1EEDALOX5
SCHEMBL8624594 0.78 MEN1 (0.44) MEN1SLC22A2SLC22A1EEDALOX5
SCHEMBL19993826 0.77 MAOA (0.41) MEN1SLC22A2SLC22A1EEDALOX5
SCHEMBL7221147 0.77 PTGS1 (0.67) MEN1SLC22A2SLC22A1EEDALOX5
SCHEMBL9467855 0.77 MAOA (0.46) MEN1SLC22A2SLC22A1EEDALOX5
SCHEMBL29361626 0.77 MAOA (0.46) MEN1SLC22A2SLC22A1EEDALOX5
SCHEMBL6345040 0.77 MAOA (0.46) MEN1SLC22A2SLC22A1EEDALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9216822-A None JP disclosed
EP-0930310-B1 ISOCOUMARIN DERIVATIVES AND USE THEREOF IN DRUGS MERCIAN CORP (JP) 2003-03-26 EP disclosed
US-6020363-A IMMUNOLOGY MODERATORS, ANTICANCER AGENTS MERCIAN CORPORATION (JP) 2000-02-01 US disclosed
EP-0930310-A1 ISOCOUMARIN DERIVATIVES AND USE THEREOF IN DRUGS MERCIAN CORPORATION (JP) 1999-07-21 EP disclosed
JP-H09216822-A VASCULARIZATION INHIBITOR MERCIAN CORP 1997-08-19 JP disclosed