SCHEMBL4029566

SCHEMBL4029566

CCOC(CCc1ccc(OCCn2c(C)ccc2-c2cc3ccccc3o2)cc1)OS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
PDE4A P27815 1/20 0.38
ADRA1A P35348 1/20 0.38
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MKNK1 Q9BUB5 5/20 0.36
HTR1A P08908 2/20 0.34
HTR2B P41595 2/20 0.34
DRD2 P14416 2/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
PPARD Q03181 1/20 0.33
MMP12 P39900 1/20 0.33

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
SCHEMBL4025890 0.85 DRD3 (0.41) DRD3PGRADORA3CHRM1TBXA2R
SCHEMBL4031253 0.83 DRD3 (0.39) DRD3PGRADORA3CHRM1TBXA2R
SCHEMBL4029569 0.82 MKNK1 (0.36) DRD3PGRADORA3CHRM1TBXA2R
SCHEMBL1338143 0.79 PGR (0.61) DRD3PGRADORA3CHRM1TBXA2R
SCHEMBL6076338 0.79 PGR (0.53) DRD3PGRADORA3CHRM1TBXA2R
SCHEMBL4026183 0.78 PGR (0.41) DRD3PGRADORA3CHRM1TBXA2R
SCHEMBL4025601 0.78 DRD3 (0.42) DRD3PGRADORA3CHRM1TBXA2R
SCHEMBL4025892 0.78 DRD3 (0.44) DRD3PGRADORA3CHRM1TBXA2R
SCHEMBL4032669 0.78 PGR (0.43) DRD3PGRADORA3CHRM1TBXA2R
SCHEMBL4031259 0.77 MKNK1 (0.38) DRD3PGRADORA3CHRM1TBXA2R

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-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP claimed