SCHEMBL9857565

SCHEMBL9857565

C=CCCC(CCCCCCC)c1ccccc1C=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.40
CYSLTR1 Q9Y271 3/20 0.40
TSHR P16473 1/20 0.36
NR1I2 O75469 1/20 0.33
PPARG P37231 2/20 0.32
PLA2G2C Q5R387 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31

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
SCHEMBL1332960 0.87 CYSLTR2 (0.45) CYSLTR2CYSLTR1TSHRNR1I2PPARG
SCHEMBL6882280 0.81 CYSLTR2 (0.43) CYSLTR2CYSLTR1PPARGTDP1
SCHEMBL1880780 0.81 CYSLTR2 (0.40) CYSLTR2CYSLTR1TSHRTDP1MEN1
SCHEMBL28702571 0.81 CYSLTR2 (0.43) CYSLTR2CYSLTR1NR1I2PPARGPRSS1
SCHEMBL490156 0.79 ALDH1A1 (0.40) CYSLTR2CYSLTR1PPARGKMT2APRSS1
SCHEMBL9351919 0.79 CYSLTR2 (0.42) CYSLTR2CYSLTR1NR1I2PPARGPRSS1
SCHEMBL1856281 0.78 CYSLTR2 (0.38) CYSLTR2CYSLTR1NR1I2PPARGTDP1
SCHEMBL489761 0.78 ALDH1A1 (0.39) CYSLTR2CYSLTR1PPARGKMT2APRSS1
SCHEMBL489432 0.78 ALDH1A1 (0.39) CYSLTR2CYSLTR1PPARGTDP1MEN1
SCHEMBL8741674 0.77 CYSLTR2 (0.40) CYSLTR2CYSLTR1NR1I2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0301401-B1 LEUKOTRIENE ANTAGONISTS, PROCESS FOR THEIR PREPARATION, THEIR USE IN THE TREATMENT OF ILLNESSES HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-27 EP disclosed
EP-0301401-A2 Leukotriene antagonists, process for their preparation, their use in the treatment of illnesses HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-01 EP disclosed