SCHEMBL27631925

SCHEMBL27631925

COC(=O)CC1CCn2c1cc1c(S(C)(=O)=O)nccc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 8/20 0.44
PTGDR Q13258 8/20 0.44
S1PR1 P21453 6/20 0.33
DYRK1A Q13627 2/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
S1PR5 Q9H228 1/20 0.31
MIF P14174 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
SCHEMBL2926749 0.89 TBXA2R (0.54) TBXA2RPTGDRS1PR1
SCHEMBL2925656 0.83 TBXA2R (0.55) TBXA2RPTGDRS1PR1
SCHEMBL27631943 0.80 TBXA2R (0.40) TBXA2RPTGDRPIK3C3
SCHEMBL1254300 0.78 TBXA2R (0.39) TBXA2RPTGDR
SCHEMBL27710004 0.73 PTGDR (0.43) TBXA2RPTGDR
SCHEMBL2922357 0.73 PTGDR (0.44) TBXA2RPTGDRS1PR1
SCHEMBL2923853 0.70 PTGDR (0.53) TBXA2RPTGDRS1PR1S1PR5
SCHEMBL2446502 0.69 S1PR1 (0.46) S1PR1S1PR5MIF
SCHEMBL2446506 0.69 S1PR1 (0.46) S1PR1S1PR5MIF
SCHEMBL2018070 0.66 GAA (0.37) S1PR1KDM4EALDH1A1HSD17B10MIF

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
CN-1732171-A Pyridopyrrolizine and pyridoindolizine derivatives MERCK FROSST CANADA INC (CA) 2006-02-08 CN disclosed