SCHEMBL9879273

SCHEMBL9879273

CC(=O)OC1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccccc21

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 17/20 0.65
PTGDR Q13258 15/20 0.65
PDE2A O00408 1/20 0.48
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL9518655 0.93 TBXA2R (0.57) TBXA2RPTGDRHDAC2HDAC8HDAC6
SCHEMBL10517481 0.89 TBXA2R (0.62) TBXA2RPTGDRPDE2AHDAC2HDAC8
SCHEMBL10769971 0.87 TBXA2R (0.53) TBXA2RPTGDR
SCHEMBL10588990 0.86 TBXA2R (0.67) TBXA2RPTGDRPDE2A
SCHEMBL10585888 0.86 TBXA2R (0.52) TBXA2RPTGDRPDE2A
SCHEMBL9879388 0.81 TBXA2R (0.58) TBXA2RPTGDRPDE2A
SCHEMBL10582670 0.80 TBXA2R (0.63) TBXA2RPTGDRPDE2AHDAC2HDAC8
SCHEMBL9521310 0.79 TBXA2R (0.64) TBXA2RPTGDRPDE2AHDAC2HDAC8
SCHEMBL9521476 0.79 TBXA2R (1.00) TBXA2RPTGDRPDE2A
SCHEMBL6268039 0.78 TBXA2R (0.75) TBXA2RPTGDRPDE2A

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-0234708-B1 TETRAHYDROCARBAZOLE 1-ALKANOIC ACIDS MERCK FROSST CANADA INC. (CA) 1991-02-27 EP claimed