SCHEMBL9518153

SCHEMBL9518153

Cc1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 19/20 0.80
PTGDR Q13258 18/20 0.80
PDE2A O00408 3/20 0.78

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
SCHEMBL10736116 0.89 TBXA2R (0.65) TBXA2RPTGDRPDE2A
SCHEMBL9518296 0.89 TBXA2R (0.79) TBXA2RPTGDRPDE2A
SCHEMBL6264601 0.88 TBXA2R (1.00) TBXA2RPTGDRPDE2A
SCHEMBL9518211 0.88 TBXA2R (0.65) TBXA2RPTGDRPDE2A
SCHEMBL9521486 0.88 TBXA2R (1.00) TBXA2RPTGDRPDE2A
SCHEMBL6271367 0.88 TBXA2R (1.00) TBXA2RPTGDRPDE2A
SCHEMBL9521435 0.87 TBXA2R (0.71) TBXA2RPTGDRPDE2A
SCHEMBL347602 0.87 TBXA2R (0.72) TBXA2RPTGDRPDE2A
SCHEMBL347874 0.87 TBXA2R (0.72) TBXA2RPTGDRPDE2A
SCHEMBL7781310 0.87 TBXA2R (0.72) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0239306-B1 TETRAHYDROCARBAZOLE ESTERS MERCK FROSST CANADA INC. (CA) 1993-06-02 EP claimed
EP-0234708-B1 TETRAHYDROCARBAZOLE 1-ALKANOIC ACIDS MERCK FROSST CANADA INC. (CA) 1991-02-27 EP claimed
EP-0307077-A1 Tetrahydrocarbazoles for the improvement of cyclosporin therapy MERCK FROSST CANADA INC. (CA) 1989-03-15 EP claimed
EP-0239306-A2 Tetrahydrocarbazole esters MERCK FROSST CANADA INC. (CA) 1987-09-30 EP claimed
EP-0234708-A1 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1987-09-02 EP claimed
EP-0239306-B1 TETRAHYDROCARBAZOLE ESTERS MERCK FROSST CANADA INC. (CA) 1993-06-02 EP disclosed
EP-0300657-B1 4-SUBSTITUTED 3-OXOBUTANOATE ESTER DERIVATIVES MERCK & CO. INC. (US) 1993-03-31 EP disclosed
EP-0234708-B1 TETRAHYDROCARBAZOLE 1-ALKANOIC ACIDS MERCK FROSST CANADA INC. (CA) 1991-02-27 EP disclosed
US-4940719-A Tetrahydrocarbazole esters, pharmaceutical compositions and use MERCK FROSST CANADA, INC. (CA) 1990-07-10 US disclosed
EP-0310179-A2 Tetrahydrocarbazole esters MERCK FROSST CANADA INC. (CA) 1989-04-05 EP disclosed
EP-0307077-A1 Tetrahydrocarbazoles for the improvement of cyclosporin therapy MERCK FROSST CANADA INC. (CA) 1989-03-15 EP disclosed
US-4808608-A ANTIALLERGENS, HYPOTENSIVE AGENT, ANTICOAGULANT MERCK & CO., INC. (US) 1989-02-28 US disclosed
EP-0300676-A2 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1989-01-25 EP disclosed
EP-0300657-A2 4-substituted 3-oxobutanoate ester derivatives MERCK & CO. INC. (US) 1989-01-25 EP disclosed
EP-0239306-A2 Tetrahydrocarbazole esters MERCK FROSST CANADA INC. (CA) 1987-09-30 EP disclosed
EP-0234708-A1 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1987-09-02 EP disclosed