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SCHEMBL9683125

SCHEMBL9683125

COc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3cc(F)ccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 19/20 1.00
▸ ALOX5AP P20292 1/20 0.52

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
SCHEMBL9681521 0.89 TBXA2R (1.00) TBXA2R
SCHEMBL9681429 0.89 TBXA2R (1.00) TBXA2R
SCHEMBL9682056 0.89 TBXA2R (0.80) TBXA2RALOX5AP
SCHEMBL9681382 0.88 TBXA2R (1.00) TBXA2RALOX5AP
SCHEMBL9683330 0.87 TBXA2R (0.89) TBXA2RALOX5AP
SCHEMBL9682431 0.86 TBXA2R (0.77) TBXA2RALOX5AP
SCHEMBL9681954 0.86 TBXA2R (1.00) TBXA2R
SCHEMBL9681818 0.86 TBXA2R (1.00) TBXA2R
SCHEMBL9681365 0.86 TBXA2R (1.00) TBXA2RALOX5AP
SCHEMBL9682001 0.85 TBXA2R (1.00) TBXA2R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128359-A Benzimidazole and azabenzimidazole derivatives which are thromboxane receptor antagonists, their methods of preparation LABORATOIRES UPSA (FR) 1992-07-07 — — US disclosed
US-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 — — US disclosed