SCHEMBL9518400

SCHEMBL9518400

CC(C)(C)c1ccc2c(c1)c1c(n2Cc2ccc(Cl)cc2)C(CC(=O)O)CCC1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 19/20 0.75
PTGDR Q13258 17/20 0.73
PDE2A O00408 3/20 0.60

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
SCHEMBL9518236 0.91 TBXA2R (0.78) TBXA2RPTGDRPDE2A
SCHEMBL9518358 0.89 TBXA2R (0.85) TBXA2RPTGDRPDE2A
SCHEMBL9518253 0.88 TBXA2R (0.59) TBXA2RPTGDRPDE2A
SCHEMBL9518347 0.87 TBXA2R (0.79) TBXA2RPTGDRPDE2A
SCHEMBL2763367 0.85 TBXA2R (0.69) TBXA2RPTGDRPDE2A
SCHEMBL9277313 0.85 TBXA2R (1.00) TBXA2RPTGDRPDE2A
SCHEMBL9518334 0.85 TBXA2R (0.79) TBXA2RPTGDRPDE2A
SCHEMBL9518365 0.85 TBXA2R (0.75) TBXA2RPTGDRPDE2A
SCHEMBL9518377 0.85 TBXA2R (0.75) TBXA2RPTGDRPDE2A
SCHEMBL9518332 0.85 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 4 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-0307077-A1 Tetrahydrocarbazoles for the improvement of cyclosporin therapy MERCK FROSST CANADA INC. (CA) 1989-03-15 EP claimed
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