SCHEMBL10448487

SCHEMBL10448487

CCCCCCC(Br)CCCCOc1ccccc1C(SCC(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 10/20 0.55
CYSLTR1 Q9Y271 10/20 0.55
PPARG P37231 7/20 0.49
PPARA Q07869 5/20 0.45
PTGES O14684 2/20 0.45
ALOX5 P09917 2/20 0.45
PLA2G4B P0C869 1/20 0.44
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
MAPT P10636 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL9560171 0.92 CYSLTR2 (0.63) CYSLTR2CYSLTR1PPARGPPARAPTGES
SCHEMBL9560036 0.92 CYSLTR2 (0.63) CYSLTR2CYSLTR1PPARGPPARAPTGES
SCHEMBL10448298 0.88 CYSLTR2 (0.54) CYSLTR2CYSLTR1PPARGPPARAPTGES
SCHEMBL10448473 0.86 CYSLTR2 (0.52) CYSLTR2CYSLTR1PPARGPPARAPTGES
SCHEMBL9560309 0.79 CYSLTR2 (0.66) CYSLTR2CYSLTR1PLA2G4B
SCHEMBL9560112 0.78 CYSLTR2 (0.67) CYSLTR2CYSLTR1PLA2G4B
SCHEMBL9559867 0.74 CYSLTR2 (0.68) CYSLTR2CYSLTR1PLA2G4BLMNAMAPT
SCHEMBL9560190 0.73 CYSLTR2 (0.76) CYSLTR2CYSLTR1PPARGPPARA
SCHEMBL9560087 0.73 CYSLTR2 (0.76) CYSLTR2CYSLTR1PPARGPPARA
SCHEMBL9559989 0.73 CYSLTR2 (0.76) CYSLTR2CYSLTR1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358240-A2 Intermediates for the preparation of leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-03-14 EP disclosed