Sugi Predict

Sugi Predict / Compounds / SCHEMBL9521486

SCHEMBL9521486

SCHEMBL9521486

CC(C)c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 19/20 1.00
▸ PTGDR Q13258 19/20 1.00
▸ PDE2A O00408 3/20 0.73
▸ PTGER2 P43116 1/20 0.59

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
SCHEMBL9518141 0.88 TBXA2R (0.79) TBXA2RPTGDRPDE2APTGER2
SCHEMBL9518153 0.88 TBXA2R (0.80) TBXA2RPTGDRPDE2A
SCHEMBL9518296 0.85 TBXA2R (0.79) TBXA2RPTGDRPDE2A
SCHEMBL6271367 0.85 TBXA2R (1.00) TBXA2RPTGDRPDE2A
SCHEMBL6264601 0.85 TBXA2R (1.00) TBXA2RPTGDRPDE2A
SCHEMBL347602 0.83 TBXA2R (0.72) TBXA2RPTGDRPDE2A
SCHEMBL7781310 0.83 TBXA2R (0.72) TBXA2RPTGDRPDE2A
SCHEMBL347874 0.83 TBXA2R (0.72) TBXA2RPTGDRPDE2A
SCHEMBL31156664 0.83 TBXA2R (0.72) TBXA2RPTGDRPDE2A
SCHEMBL31018198 0.83 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 3 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
US-4808608-A ANTIALLERGENS, HYPOTENSIVE AGENT, ANTICOAGULANT MERCK & CO., INC. (US) 1989-02-28 — — US disclosed