SCHEMBL9682982

SCHEMBL9682982

CC(C)(CC(=O)O)Cc1nc2cc(Cl)ccc2n1Cc1ccc(Br)cc1F

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 18/20 0.83
ALOX5AP P20292 1/20 0.52
AKR1A1 P14550 1/20 0.48
AKR1B1 P15121 1/20 0.48

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
SCHEMBL9683451 0.93 TBXA2R (0.76) TBXA2R
SCHEMBL9681396 0.91 TBXA2R (1.00) TBXA2RALOX5AP
SCHEMBL9681409 0.89 TBXA2R (0.66) TBXA2RALOX5AP
SCHEMBL9683350 0.88 TBXA2R (1.00) TBXA2RALOX5AP
SCHEMBL9682959 0.86 TBXA2R (1.00) TBXA2R
SCHEMBL9681374 0.84 TBXA2R (0.88) TBXA2R
SCHEMBL9683255 0.82 TBXA2R (1.00) TBXA2R
SCHEMBL9682396 0.81 TBXA2R (0.58) TBXA2RALOX5AP
SCHEMBL9681382 0.80 TBXA2R (1.00) TBXA2RALOX5AP
SCHEMBL9681381 0.79 TBXA2R (0.79) 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 claimed
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