SCHEMBL5772697

SCHEMBL5772697

C=C(C)c1cc(S(C)(=O)=O)cc2cc3n(c12)C(CC(=O)O)CC3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 13/20 0.37
PTGDR Q13258 13/20 0.37
PTGER2 P43116 2/20 0.37
GRIN2D O15399 4/20 0.32
GRIN3B O60391 4/20 0.32
GRIN1 Q05586 4/20 0.32
GRIN2A Q12879 4/20 0.32
GRIN2B Q13224 4/20 0.32
GRIN2C Q14957 4/20 0.32
GRIN3A Q8TCU5 4/20 0.32
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL5777844 0.84 PTGDR (0.35) TBXA2RPTGDRPTGER2GRIN2DGRIN3B
SCHEMBL5777080 0.82 FFAR1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5836711 0.80 AKR1C3 (0.32) TBXA2RPTGDRPTGER2
SCHEMBL5775908 0.76 PTGDR (0.44) TBXA2RPTGDRPTGER2
SCHEMBL5774572 0.76 PTGDR (0.44) TBXA2RPTGDRPTGER2
SCHEMBL5778075 0.76 GRIN2D (0.39) TBXA2RPTGDRPTGER2GRIN2DGRIN3B
SCHEMBL5776905 0.75 PTGDR (0.42) TBXA2RPTGDRPTGER2GRIN2DGRIN3B
SCHEMBL2926752 0.73 GRIN2D (0.36) TBXA2RPTGDRPTGER2GRIN2DGRIN3B
SCHEMBL5777134 0.71 FFAR4 (0.35) TBXA2RPTGDRGRIN2DGRIN3BGRIN1
SCHEMBL5776227 0.70 PDE2A (0.34) TBXA2RPTGDRPTGER2GRIN2DGRIN3B

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-1395590-B1 DIHYDROPYRROLO¬1,2-A|INDOLE AND TETRAHYDROPYRIDO¬1,2-A|INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA INC (CA) 2006-09-27 EP disclosed