SCHEMBL9713697

SCHEMBL9713697

CCOC(=O)COc1ccc(OCC(=O)OCC(=O)O)c(NC(=O)c2ccc(OCCCCc3ccccc3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.50
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.49
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
PLA2G4B P0C869 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SCN5A Q14524 2/20 0.45
SCN2A Q99250 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CYSLTR2 Q9NS75 4/20 0.44
CYSLTR1 Q9Y271 4/20 0.44
PLK1 P53350 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL9713032 0.90 PLK1 (0.53) NR1H4MAPTPOLBLMNAMEN1
SCHEMBL9857546 0.89 NR1H4 (0.52) NR1H4MAPTPOLBLMNAPLA2G4B
SCHEMBL9712980 0.89 NR1H4 (0.54) NR1H4MAPTPOLBLMNAMEN1
SCHEMBL9857365 0.89 NR1H4 (0.52) NR1H4MAPTPOLBLMNAPPARG
SCHEMBL9713433 0.89 NR1H4 (0.59) NR1H4PLA2G4BMEN1KMT2ASCN5A
SCHEMBL9856932 0.89 MAPT (0.52) NR1H4MAPTPOLBLMNAMEN1
SCHEMBL9857411 0.89 NR1H4 (0.51) NR1H4MAPTPOLBLMNAPLA2G4B
SCHEMBL9857326 0.89 NR1H4 (0.51) NR1H4MAPTPOLBLMNAPLA2G4B
SCHEMBL9712885 0.89 NR1H4 (0.51) NR1H4MAPTPOLBLMNAPLA2G4B
SCHEMBL9713720 0.89 NR1H4 (0.51) NR1H4MAPTPOLBLMNAPLA2G4B

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
US-5140046-A Slow reacting substance of anaphylaxis antagonists YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-08-18 US disclosed
US-5116853-A SRS-Antagonist, Antiallergens MASE TOSHIYASU (JP) 1992-05-26 US disclosed
US-4994479-A Antagonists of SRS-A(slow reacting substance of anaphylaxis); antiallergens, antiischemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US disclosed