SCHEMBL7045396

SCHEMBL7045396

O=C(NC(CCO)c1ccccc1)C1SCCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 1/20 0.40
CDK8 P49336 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
PRKX P51817 1/20 0.40
PRKCQ Q04759 1/20 0.40
ROCK1 Q13464 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
PTGFR P43088 1/20 0.40
CFD P00746 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
CCR5 P51681 4/20 0.38
PHGDH O43175 1/20 0.38
RPS6KB1 P23443 2/20 0.37
TACR3 P29371 1/20 0.37
AKT1 P31749 1/20 0.37
ROCK2 O75116 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL3383580 1.00 PRKACA (0.40) PRKACACDK8GSK3AGSK3BPRKX
SCHEMBL3386255 0.90 PTGFR (0.46) PTGFRCFDCCR5RPS6KB1WDR91
SCHEMBL3382787 0.85 CFD (0.40) PTGFRCFD
SCHEMBL13004626 0.85 PTGFR (0.39) PRKACACDK8GSK3AGSK3BPRKX
SCHEMBL3386859 0.85 PTGFR (0.39) PRKACACDK8GSK3AGSK3BPRKX
SCHEMBL3385956 0.85 PTGFR (0.39) PRKACACDK8GSK3AGSK3BPRKX
SCHEMBL3383891 0.80 JAK2 (0.38) PTGFRCFD
SCHEMBL3382557 0.78 PTGFR (0.64) PRKACACDK8GSK3AGSK3BPRKX
SCHEMBL3382579 0.78 PTGFR (0.64) PRKACACDK8GSK3AGSK3BPRKX
SCHEMBL3382653 0.78 PTGFR (0.64) PRKACACDK8GSK3AGSK3BPRKX

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-1487442-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR Applied Research Systems ARS Holding N.V. (AN) 2004-12-22 EP disclosed
WO-2003082278-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-10-09 WO disclosed