SCHEMBL9713649

SCHEMBL9713649

CC(=O)c1ccc(O)c(NC(=O)c2ccc(OCCCCc3ccccc3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.63
CYSLTR1 Q9Y271 5/20 0.52
CYSLTR2 Q9NS75 3/20 0.52
HDAC1 Q13547 2/20 0.52
FFAR1 O14842 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PLK1 P53350 1/20 0.50
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
BACE1 P56817 1/20 0.49
PLA2G4B P0C869 1/20 0.49
SCN5A Q14524 1/20 0.48
SCN2A Q99250 1/20 0.48
MAPT P10636 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48

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
SCHEMBL9713930 0.89 KCNMA1 (0.62) NR1H4CYSLTR1CYSLTR2HDAC1FFAR1
SCHEMBL9857044 0.88 NR1H4 (0.59) NR1H4CYSLTR1CYSLTR2HDAC1FFAR1
SCHEMBL9713529 0.88 NR1H4 (0.59) NR1H4CYSLTR1CYSLTR2HDAC1FFAR1
SCHEMBL9856852 0.87 NR1H4 (0.58) NR1H4CYSLTR1CYSLTR2HDAC1FFAR1
SCHEMBL9857323 0.87 NR1H4 (0.58) NR1H4CYSLTR1CYSLTR2HDAC1FFAR1
SCHEMBL9857076 0.87 NR1H4 (0.60) NR1H4CYSLTR1CYSLTR2HDAC1FFAR1
SCHEMBL9713250 0.87 KCNMA1 (0.62) NR1H4CYSLTR1CYSLTR2HDAC1FFAR1
SCHEMBL9713671 0.86 NR1H4 (0.64) NR1H4CYSLTR1CYSLTR2FFAR1NPC1
SCHEMBL6581838 0.86 NR1H4 (0.68) NR1H4CYSLTR1NPC1RAB9AMEN1
SCHEMBL9713063 0.85 KCNMA1 (0.53) NR1H4HDAC1MEN1KMT2AMAPT

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
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
EP-0218728-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1987-04-22 EP disclosed
WO-1986005779-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-10-09 WO disclosed