SCHEMBL9681365

SCHEMBL9681365

COc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 17/20 1.00
TP53 P04637 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ALOX5AP P20292 1/20 0.55

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
SCHEMBL9681926 0.90 TBXA2R (0.87) TBXA2R
SCHEMBL9681794 0.88 TBXA2R (1.00) TBXA2R
SCHEMBL9681823 0.88 TBXA2R (0.83) TBXA2RTP53SMN1; SMN2
SCHEMBL9683093 0.88 TBXA2R (0.83) TBXA2R
SCHEMBL9681897 0.88 TBXA2R (0.78) TBXA2RTP53SMN1; SMN2ALOX5AP
SCHEMBL9700305 0.87 TBXA2R (0.82) TBXA2R
SCHEMBL9683466 0.87 TBXA2R (1.00) TBXA2R
SCHEMBL9681521 0.87 TBXA2R (1.00) TBXA2R
SCHEMBL9682433 0.86 TBXA2R (0.77) TBXA2RALOX5AP
SCHEMBL9683125 0.86 TBXA2R (1.00) TBXA2RALOX5AP

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
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
US-5021443-A Noval benzimidazole and azabenzimiazole derivatives which are thromboxane receptor antagonists, their methods of preparation and pharmaceutical compositions in which they are present LABORATOIRES UPSA (FR) 1991-06-04 US disclosed